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VDR_RAT_116_422_ligBind

Vitamin D3 receptor [Nuclear hormone receptor family. NR1 subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (VDR_RAT):D: NR LBD (142:145, 147, 150, 220, 222, 223, 226, 227, 229, 230, 232, 233, 264, 267, 268, 270, 271, 274, 275, 282, 284, 291, 295:301, 305, 306, 309, 310, 313, 389, 392, 393, 396, 397, 400, 410, 414, 418)
R: Vitamin D3 binding (223, 226, 227, 229, 230, 232, 233)
R: Vitamin D3 binding (267, 268, 270, 271, 274)
142:145, 147, 150, 220, 222, 223, 226, 227, 229, 230, 232, 233, 264, 267, 268, 270, 271, 274, 275, 282, 284, 291, 295:301, 305, 306, 309, 310, 313, 389, 392, 393, 396, 397, 400, 410, 414, 418

Full PDB list

2zl9, 2zla, 2zlc, 2zmh, 2zmi, 2zmj, 2zxm, 2zxn, 3afr, 3vjs, 3vjt, 3vrt, 3vru, 3vrv, 3vrw, 3vt3, 3vt4, 3vt5, 3vt6, 3vt7, 3vt8, 3vt9, 3vtb, 3vtc, 3vtd, 3w0h, 3w5p, 3w5q, 3w5r, 3w5t, 3wt5, 3wt6, 3wt7, 3wtq, 4ynk, 5awj, 5awk, 5b41, 5b5b, 5h1e (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
T
1
4
2
Y
1
4
3
D
1
4
4
Y
1
4
7
F
1
5
0
L
2
2
3
L
2
2
6
A
2
2
7
L
2
2
9
V
2
3
0
Y
2
3
2
S
2
3
3
I
2
6
4
I
2
6
7
M
2
6
8
R
2
7
0
S
2
7
1
S
2
7
4
F
2
7
5
W
2
8
2
C
2
8
4
Y
2
9
1
D
2
9
5
V
2
9
6
K
2
9
8
A
2
9
9
G
3
0
0
H
3
0
1
L
3
0
5
I
3
0
6
L
3
0
9
Q
3
1
3
L
3
8
9
H
3
9
3
Q
3
9
6
Y
3
9
7
L
4
0
0
L
4
1
0
V
4
1
4
F
4
1
8
[1]2zl9.a vda34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2zla.a vdb34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2zlc.a vdx30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2zmh.a nya37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2zmi.a tt238 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2zmj.a mi439 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2zxm.a jb131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2zxn.a jc131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3afr.a icj34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3vjs.a 10s31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3vjt.a 10r31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3vrt.a ys227 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3vru.a ys329 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3vrv.a ysd31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3vrw.a ys535 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3vt3.a vdx30 . . . . . . . . . . . . . . . L . . . . . . . . . . . . . . . . . . . . . . . .
[1]3vt4.a 5yi33 . . . . . . . . . . . . . . . L . . . . . . . . . . . . . . . . . . . . . . . .
[1]3vt5.a yi233 . . . . . . . . . . . . . . . L . . . . . . . . . . . . . . . . . . . . . . . .
[1]3vt6.a 5yi33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3vt8.a yi333 . . . . . . . . . . . . . . . . . . . - - . . . . . . . . . . . . . . . . . . .
[1]3vt9.a yi435 . . . . . . . . . . . . . . . . . . . - - . . . . . . . . . . . . . . . . . . .
[1]3vtb.a tka38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3vtc.a tk339 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3vtd.a tkd39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3w0h.a w1233 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3w5p.a 4oa27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3w5q.a 3kl27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3w5r.a loa30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3w5t.a lhp31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3wt5.a ya134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3wt7.a ya235 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3wtq.a ys934 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4ynk.a yw237 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5awj.a ysl33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5awk.a yse29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5b41.a ysv30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5b5b.a akx42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Site contact map

[download in TSV format]
   
PDB.ch
A1
T
1
4
2
Y
1
4
3
D
1
4
4
P
1
4
5
Y
1
4
7
F
1
5
0
L
2
2
0
M
2
2
2
L
2
2
3
L
2
2
6
A
2
2
7
L
2
2
9
V
2
3
0
Y
2
3
2
S
2
3
3
I
2
6
4
I
2
6
7
M
2
6
8
R
2
7
0
S
2
7
1
S
2
7
4
F
2
7
5
W
2
8
2
C
2
8
4
Y
2
9
1
D
2
9
5
V
2
9
6
S
2
9
7
K
2
9
8
A
2
9
9
G
3
0
0
H
3
0
1
L
3
0
5
I
3
0
6
L
3
0
9
I
3
1
0
Q
3
1
3
L
3
8
9
E
3
9
2
H
3
9
3
Q
3
9
6
Y
3
9
7
L
4
0
0
L
4
1
0
V
4
1
4
F
4
1
8
[1]2zl9.a . . . . . . . . * . . . . . . . . . . . . . * . . . . . * * . * * . . . . . . * . . . . . .
[1]2zla.a . . . . . . . . * . . . . . . . . . . . . . * . . . * . . * . * * . . . . . . * . . . . . .
[1]2zlc.a . . . . . . . . * . . . . . . . . . . . . . * . . . * . . * . * * . . . . . . * . . . . . .
[1]2zmh.a . . . . . . . . . . . . . . . . . . . . . . * . . . . . . * . . * . . . . . . * . . . . . .
[1]2zmi.a . . . . . . . . . . . . . . . . . . . . . . * . . . * . . * . * * . . . . . . * . . . . . .
[1]2zmj.a . . . . . . . . * . . . . . . . . . . . . . * . . . . . . * . * * . . . . . . * . . . . . .
[1]2zxm.a . . . . . . . . * . . . . . . . . . . . . . * . . . . . . * . * * . . . . . . * . . . * . .
[1]2zxn.a . . . . . . . . * . . . . . . . . . . . . . * . . . . . . * . * * . . . . . . * . . . . . .
[1]3afr.a . . . . . . . . * . . . . . . . . . . . . . * . . . * . * * . * * . . . . . . * . . . . . .
[1]3vjs.a . . . . . . . . * . . . . . . . . . . . . . * . . . * . * * . * * . . . . . . * . . . . . .
[1]3vjt.a . . . . . . . . * . . . . . . . . . . . . . * . . . . . . * . * * . . . . . . * . . . . . .
[1]3vrt.a . . . . . . . . * . . . . . . . . . . . . . * . . . * . . * . * * . . . . . . * . . . . . .
[1]3vru.a . . . . . . . . * . . . . . . . . . . . . . * . . . * . . * . * * . . . . . . * . . . . . .
[1]3vrv.a . . . . . . . . * . . . . . . . . . . . . . * . . . * . . * . * * . . . . . . * . . . . . .
[1]3vrw.a . . . . . . . . * . . . . . . . . . . . . . * . . . . . . * . * * . . . . . . * . . . . . .
[1]3vt3.a . . . . . . . . * . . . . . . . . . L . . . * . . . * . . * . * * . . . . . . * . . . . . .
[1]3vt4.a . . . . . . . . * . . . . . . . . . L . . . * . . . . . * * . . * . . . . . . * . . . . . .
[1]3vt5.a . . . . . . . . * . . . . . . . . . L . . . * . . . . . . * . * * . . . . . . * . . . . . .
[1]3vt6.a . . . . . . . . * . . . . . . . . . . . . . * . . . . . . * . * * . . . . . . * . . . . . .
[1]3vt8.a . . . . . . . . * . . . . . . . . . . . . . - - . . . . * * . * * . . . . . . * . . . . . .
[1]3vt9.a . . . . . . . . * . . . . . . . . . . . . . - - . . . . . * . * * . . . . . . * . . . . . .
[1]3vtb.a . . . . . . . . * . . . . . . . . . . . . . * . . . . . * * . . * . . . . . . * . . . . . .
[1]3vtc.a . . . . . . . . * . . . . . . . . . . . . . * . . . * . . * . * . . . . . . . * . . . . . .
[1]3vtd.a . . . . . . . . * . . . . . . . . . . . . . * . . . . . . * . . . . . . . . . * . . . . . .
[1]3w0h.a . . . . . . . . . . . . . . . . . . . . . . * . . . . . * * . * * . . . . . . * . . . . . .
[1]3w5p.a . . . . . . . . . . . . . . . . . . . . . . * . . . . . * * . * * . . . . . . * . . . . . .
[1]3w5q.a . . . . . . . . * . . . . . . . . . . . . . * . . . * . * * . * * . . . . . . * . . . . . .
[1]3w5r.a . . . . . . . . * . . . . . . . . . . . . . * . . . * . * * . * * . . . . . . * . . . . . .
[1]3w5t.a . . . . . . . . * . . . . . . . . . . . . . * . . . * . * * . * * . . . . . . * . . . . . .
[1]3wt5.a . . . . . . . . * . . . . . . . . . . . . . * . . . * . . * . * . . . . . . . * . . . . . .
[1]3wt7.a . . . . . . . . * . . . . . . . . . . . . . * . . . . . . * . * * . . . . . . * . . . . . .
[1]3wtq.a . . . . . . . . * . . . . . . . . . . . . . * . . . * . * * . * * . . . . . . * . . . . . .
[1]4ynk.a . . . . . . . . . . . . . . . . . . . . . . * . . . * . . * . . * . . . . . . * . . . . . .
[1]5awj.a . . . . . . . . * . . . . . . . . . . . . . * . . . * . . * . * . . . . . . . * . . . . . .
[1]5awk.a . . . . . . . . * . . . . . . . . . . . . . * . . . . . . * . * * . . . . . . * . . . . . .
[1]5b41.a . . . . . . . . * . . . . . . . . . . . . . * . . . * . . * . * * . . . . . . * . . . . . .
[1]5b5b.a . . . . . . . . * . . . . . . . . . . . . . * . . . . . . . . . * . . . . . . * . . . . . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X X X X X  clash
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Pocket-ligand steric compatibility

Ligands (x) vs pockets (y) colored by number of steric clashes

zoom: [−] [+]; [view as image]; [download as text]

pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
2zl9.a:vda
2zla.a:vdb
2zlc.a:vdx
2zmh.a:nya
2zmi.a:tt2
2zmj.a:mi4
2zxm.a:jb1
2zxn.a:jc1
3afr.a:icj
3vjs.a:10s
3vjt.a:10r
3vrt.a:ys2
3vru.a:ys3
3vrv.a:ysd
3vrw.a:ys5
3vt3.a:vdx
3vt4.a:5yi
3vt5.a:yi2
3vt6.a:5yi
3vt8.a:yi3
3vt9.a:yi4
3vtb.a:tka
3vtc.a:tk3
3vtd.a:tkd
3w0h.a:w12
3w5p.a:4oa
3w5q.a:3kl
3w5r.a:loa
3w5t.a:lhp
3wt5.a:ya1
3wt7.a:ya2
3wtq.a:ys9
4ynk.a:yw2
5awj.a:ysl
5awk.a:yse
5b41.a:ysv
5b5b.a:akx
[1] 2zl9.a
0
0.1 0 0.6 1.1 0.5 1.1 0.3 1.0 0.2 0.1 0.2 0 0 0.9 0.2 0.3 0.1 0.1 4.5 3.6 1.2 2.7 1.9 0.5 0.3 0.4 0.1 0.2 2.9 0.6 0.7 1.0 2.2 0.3 0 5.8
[1] 2zla.a 0
0
0 1.0 1.0 0.6 1.4 0.5 1.1 0.3 0.2 0.2 0 0 1.0 0.2 0.4 0.2 0.2 4.3 3.7 1.5 3.1 2.2 0.6 0.4 0.4 0.4 0.4 2.7 0.9 0.7 1.0 2.4 0.6 0 5.5
[1] 2zlc.a 0.1 0.2
0
0.7 1.3 0.6 1.0 0.4 0.8 0.2 0.5 0.2 0.1 0.1 0.9 0 0.4 0.2 0.1 4.3 3.6 1.1 3.0 2.3 0.6 0.2 0.1 0.3 0.3 2.7 0.7 0.6 1.1 2.6 0.3 0 6.1
[1] 2zmh.a 0 0 0.1
0.1
0.2 0.3 1.2 0.4 0.6 0.2 0.2 0 0 0 1.1 0.1 0.4 0.1 0.1 4.5 3.5 0.6 2.1 1.2 0.5 0.3 0.2 0.2 0.3 3.0 0.4 0.6 0.5 2.1 0.4 0 5.1
[1] 2zmi.a 0.1 0.1 0 0.2
0
0.4 1.0 0.8 0.7 0.3 0.1 0.2 0.2 0.2 0.7 0 0.5 0.2 0.1 4.5 3.9 0.7 2.8 1.6 0.6 0.3 0.3 0.5 0.5 2.9 0.6 0.7 0.7 2.8 0.5 0 6.3
[1] 2zmj.a 0 0 0 0.5 0.6
0
1.0 0.1 0.7 0 0 0 0 0 0.5 0 0.2 0.1 0.1 4.6 3.3 0.9 2.4 1.9 0.5 0.1 0.2 0.2 0.2 2.7 0.6 0.3 0.8 2.7 0.3 0 5.3
[1] 2zxm.a 0.2 0.4 0 0.4 1.2 0.8
0
0.3 0.1 0.2 0.3 0 0.1 0 0.1 0 0.3 0.2 0.2 4.5 3.7 0.3 2.4 1.0 0.4 0.2 0 0.3 0.3 1.2 0.2 0.1 0.4 1.3 0.1 0 6.1
[1] 2zxn.a 0.1 0.2 0.1 0.6 1.1 0.5 1.3
0
0.5 0.4 0.5 0 0.1 0.1 0.8 0.1 0.5 0.2 0.1 4.4 4.0 1.0 3.1 2.0 1.0 0.1 0.1 0.1 0.1 2.8 0.8 0.7 0.8 2.6 0.4 0.1 6.5
[1] 3afr.a 0 0.1 0 0.6 1.1 0.3 0.5 0.1
0.1
0.3 0.3 0 0 0 0.5 0 0.3 0.1 0.1 4.1 3.5 0.6 2.4 1.5 0.7 0.1 0.1 0.1 0.2 2.3 0.1 0.3 0.6 1.8 0.1 0 6.0
[1] 3vjs.a 0.1 0.1 0 0.6 1.0 0.4 1.3 0.2 0.8
0
0 0.2 0 0 0.8 0.1 0.5 0.1 0.2 4.2 3.3 1.1 2.9 2.1 0.6 0.1 0.3 0.3 0.4 2.7 0.7 0.6 0.9 2.4 0.4 0 5.8
[1] 3vjt.a 0.1 0.1 0.1 0.6 1.1 0.4 1.3 0.4 0.8 0
0
0.2 0.1 0 0.8 0.1 0.5 0.1 0.2 4.2 3.2 1.2 3.2 2.1 0.3 0.1 0.2 0.3 0.4 2.7 0.6 0.5 0.8 2.4 0.4 0 5.8
[1] 3vrt.a 0.1 0.1 0 0.7 1.0 0.7 1.0 0.5 0.8 0.2 0.1
0
0.1 0.1 0.9 0.1 0.5 0.2 0.1 4.7 3.9 0.8 2.6 1.7 0.6 0.2 0.2 0.2 0.2 2.4 0.5 0.5 0.7 2.5 0.4 0 5.9
[1] 3vru.a 0 0.1 0 1.0 1.1 0.7 1.2 0.4 0.8 0.3 0.3 0.2
0
0 0.9 0.1 0.3 0.2 0.3 4.2 3.8 1.2 2.9 2.0 0.6 0.2 0.3 0.3 0.3 2.9 0.7 0.9 1.0 2.7 0.3 0 5.9
[1] 3vrv.a 0.1 0.1 0 0.6 1.0 0.7 1.4 0.4 1.0 0.2 0.2 0.2 0
0
1.0 0.1 0.3 0.2 0.2 4.5 3.7 1.5 3.1 1.9 0.4 0.6 0.3 0.4 0.6 2.7 0.7 0.6 0.9 2.7 0.5 0 5.9
[1] 3vrw.a 0 0 0 0.4 1.2 0.5 0.3 0.1 0.2 0.2 0.3 0 0 0
0
0 0.4 0.1 0 4.4 3.3 0.5 2.6 1.3 0.3 0.1 0.1 0.1 0.1 1.3 0.1 0.2 0.6 1.7 0.1 0 5.4
[1] 3vt3.a 0.1 0.2 0 0.8 1.1 0.7 1.0 0.2 0.8 0.2 0.4 0.2 0.1 0.1 0.9
0
0.2 0.1 0.1 3.8 3.4 1.2 3.0 2.2 0.6 0.2 0.1 0.2 0.2 2.7 0.6 0.5 1.1 2.6 0.3 0 5.8
[1] 3vt4.a 0.1 0.1 0 1.0 1.1 0.7 1.1 0.6 1.0 0.1 0.1 0.3 0 0 1.1 0
0.1
0 0.2 4.0 3.4 1.3 2.7 2.0 0.4 0.5 0.4 0.4 0.4 3.0 0.6 0.7 0.8 2.9 0.7 0 5.4
[1] 3vt5.a 0.1 0.1 0 0.8 1.1 0.6 1.1 0.4 0.6 0.1 0.2 0.3 0 0 0.9 0 0.2
0
0.1 4.5 3.5 1.1 2.7 1.9 0.4 0.2 0.2 0.2 0.3 2.7 0.7 0.8 1.0 2.4 0.3 0 5.4
[1] 3vt6.a 0 0 0 0.7 1.0 0.5 1.1 0.4 0.6 0.2 0.1 0.2 0 0 0.9 0.1 0.1 0
0.1
4.5 3.5 0.8 2.7 1.7 0.5 0.1 0.2 0.1 0.3 2.7 0.6 0.6 0.8 2.1 0.3 0 5.6
[1] 3vt8.a 0.1 0.2 0.1 0.7 1.4 0.6 1.3 0.4 1.0 0.1 0.3 0.2 0.1 0.1 0.7 0 0.1 0.2 0.2
0
0.1 1.1 3.4 2.4 0.6 0.2 0.4 0.4 0.5 2.7 0.6 0.6 1.3 2.7 0.4 0 5.9
[1] 3vt9.a 0 0.1 0 0.9 1.2 0.6 1.2 0.4 1.0 0 0.1 0.2 0 0.1 0.9 0 0.1 0.2 0.2 0
0
1.1 3.4 2.2 0.5 0.2 0.4 0.2 0.3 2.9 0.6 0.5 1.2 2.7 0.6 0 5.5
[1] 3vtb.a 0 0 0 0.2 0.9 0.3 1.1 0.2 0.6 0.2 0.1 0 0 0 1.1 0 0.3 0.1 0 4.4 4.0
0
1.8 0.6 0.2 0.2 0 0.1 0.1 2.6 0.8 0.7 0.1 2.1 0.3 0 5.1
[1] 3vtc.a 0 0.1 0 0.2 1.1 0.2 2.2 0.1 1.3 0.3 0.4 0 0 0 1.0 0.1 0.3 0.1 0 4.5 3.8 0
0
0 0.4 0.2 0.1 0.1 0.1 3.3 0.9 1.3 0.3 3.1 0.4 0 4.9
[1] 3vtd.a 0 0 0 0.2 1.0 0.2 1.5 0.5 0.5 0.1 0.1 0 0 0 0.7 0.1 0.3 0.1 0 4.7 3.9 0 0
0
0.5 0.2 0.2 0.1 0.1 3.0 0.4 0.6 0.1 3.5 0.2 0 4.2
[1] 3w0h.a 0.1 0.2 0.1 0.6 0.4 0.5 1.4 0.5 1.3 0 0 0.2 0 0.1 1.2 0.2 0.4 0.2 0.3 3.9 2.9 1.4 3.1 2.5
0
0.3 0.5 0.3 0.4 2.8 0.9 0.8 0.7 2.3 0.7 0 5.3
[1] 3w5p.a 0.3 0.3 0.4 0.5 0.7 0.3 1.5 0.2 1.2 0.4 0.4 0.1 0.2 0.3 1.5 0.5 0.5 0.4 0.3 5.1 3.9 1.5 3.0 2.5 0.9
0.1
0.1 0.1 0.1 2.9 1.3 0.8 0.9 2.6 0.4 0.2 6.3
[1] 3w5q.a 0.3 0.7 0.5 0.7 1.8 1.0 1.9 0.2 1.2 0.8 0.8 0.1 0.5 0.5 1.4 0.7 0.7 0.3 0.6 5.2 4.5 1.8 3.0 2.4 1.7 0.1
0.1
0.1 0.1 3.0 1.3 0.8 1.6 2.7 0.4 0.5 7.0
[1] 3w5r.a 0.4 0.7 0.3 0.7 1.1 1.0 1.1 0.2 0.7 0.2 0.4 0.2 0.2 0.2 1.3 0.3 0.4 0.3 0.2 4.9 4.1 1.5 3.4 2.4 1.2 0.1 0.1
0.1
0.1 3.0 1.0 0.7 1.3 2.9 0.6 0.3 6.5
[1] 3w5t.a 0.3 0.5 0.2 0.7 1.3 0.5 1.3 0.1 1.0 0.4 0.6 0.3 0.2 0.2 1.0 0.3 0.3 0.2 0.2 4.4 3.4 1.3 3.3 2.4 1.0 0 0 0
0
2.9 1.0 0.4 1.1 2.8 0.4 0.2 6.8
[1] 3wt5.a 0 0.1 0 0.4 1.2 0.8 0.3 0.2 0.1 0.4 0.4 0 0 0 0.1 0 0.4 0.1 0 4.5 3.8 0.3 2.4 0.9 0.7 0.2 0.2 0.1 0.2
0.1
0.1 0.5 0.7 0 0.1 0 6.4
[1] 3wt7.a 0.1 0.2 0.1 0.8 1.2 0.7 0.6 0.3 0.2 0.5 0.5 0 0 0 0.7 0.1 0.4 0.2 0.1 4.6 3.8 1.2 2.9 1.9 0.7 0.2 0.1 0.1 0.1 1.6
0.2
0.5 1.0 1.0 0.4 0 5.7
[1] 3wtq.a 0 0.1 0 0.8 1.3 0.4 0.2 0.1 0.2 0.5 0.5 0 0 0 0.3 0 0.3 0.1 0 4.1 3.4 0.9 2.8 1.7 0.5 0.1 0.1 0.1 0.2 1.9 0.1
0.1
1.1 1.5 0.2 0 5.8
[1] 4ynk.a 0.1 0.1 0 0.2 0.3 0.2 1.2 0.4 0.8 0.1 0 0 0 0 1.1 0 0.7 0.1 0 4.7 3.9 0.1 1.8 0.5 0.2 0.3 0.1 0.1 0.3 2.3 0.7 0.6
0
2.5 0.4 0 5.0
[1] 5awj.a 0 0.1 0 0.2 1.0 0.7 0.4 0.2 0.1 0.2 0.1 0 0 0 0.5 0 0.4 0.1 0 4.1 3.3 0.3 2.3 0.7 0.5 0.1 0.2 0.1 0.1 0.8 0 0.3 0.4
0
0.1 0 6.1
[1] 5awk.a 0.1 0.3 0 0.9 1.0 0.7 0.9 0.2 0.4 0.4 0.4 0.1 0.1 0.1 0.4 0.2 0.4 0.2 0.2 4.7 3.9 1.0 2.6 1.8 0.7 0.2 0.2 0.1 0.3 2.5 0.1 0.4 0.8 2.0
0.2
0.1 6.0
[1] 5b41.a 0.1 0.2 0.1 1.0 1.1 0.5 1.5 0.2 1.0 0.5 0.5 0.2 0.1 0.2 1.0 0 0.3 0.2 0.2 4.5 3.9 1.1 3.4 2.2 0.8 0.2 0.2 0.1 0.1 2.7 0.6 0.8 1.5 2.8 0.3
0
6.0
[1] 5b5b.a 0.2 0.1 0.3 1.3 1.3 0.3 1.7 0.2 1.3 0.2 0.2 0.3 0.1 0.1 1.0 0.3 0.4 0.2 0.5 4.3 3.8 1.8 3.0 2.6 0.7 0.2 0.1 0.1 0.1 2.8 1.0 0.7 1.6 2.7 0.5 0.1
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
2zl9.a
2zla.a
2zlc.a
2zmh.a
2zmi.a
2zmj.a
2zxm.a
2zxn.a
3afr.a
3vjs.a
3vjt.a
3vrt.a
3vru.a
3vrv.a
3vrw.a
3vt3.a
3vt4.a
3vt5.a
3vt6.a
3vt8.a
3vt9.a
3vtb.a
3vtc.a
3vtd.a
3w0h.a
3w5p.a
3w5q.a
3w5r.a
3w5t.a
3wt5.a
3wt7.a
3wtq.a
4ynk.a
5awj.a
5awk.a
5b41.a
5b5b.a
[1] 2zl9.a
0
.04 .05 .07 .07 .07 .10 .07 .04 .03 .04 .05 .05 .04 .06 .06 .05 .03 .03 .14 .15 .06 .10 .11 .07 .08 .09 .08 .09 .11 .07 .06 .11 .09 .04 .05 .17
[1] 2zla.a .04
0
.04 .08 .08 .08 .12 .08 .05 .03 .03 .06 .04 .02 .07 .05 .06 .04 .04 .14 .13 .08 .09 .10 .05 .10 .11 .10 .10 .12 .08 .08 .11 .10 .06 .04 .16
[1] 2zlc.a .05 .04
0
.09 .06 .08 .10 .07 .06 .04 .04 .06 .03 .03 .08 .03 .06 .05 .05 .13 .14 .10 .09 .12 .09 .10 .08 .09 .08 .11 .08 .08 .11 .09 .06 .03 .18
[1] 2zmh.a .07 .08 .09
0
.09 .07 .11 .11 .09 .09 .10 .09 .08 .09 .10 .11 .10 .07 .06 .20 .19 .06 .12 .13 .08 .11 .13 .14 .14 .13 .11 .12 .08 .11 .07 .10 .18
[1] 2zmi.a .07 .08 .06 .09
0
.08 .12 .09 .09 .07 .07 .07 .08 .06 .09 .07 .08 .07 .08 .18 .18 .11 .13 .15 .09 .08 .11 .08 .09 .12 .10 .10 .10 .12 .07 .07 .21
[1] 2zmj.a .07 .08 .08 .07 .08
0
.10 .08 .08 .07 .08 .05 .08 .08 .09 .09 .07 .06 .07 .18 .17 .07 .12 .12 .08 .07 .09 .09 .11 .12 .10 .10 .10 .12 .07 .08 .17
[1] 2zxm.a .10 .12 .10 .11 .12 .10
0
.10 .09 .12 .11 .10 .13 .12 .07 .13 .12 .10 .09 .22 .22 .12 .11 .13 .13 .12 .12 .12 .11 .08 .08 .07 .16 .10 .07 .12 .22
[1] 2zxn.a .07 .08 .07 .11 .09 .08 .10
0
.09 .08 .08 .06 .07 .08 .08 .09 .08 .06 .07 .19 .19 .11 .13 .15 .11 .07 .06 .07 .07 .11 .10 .10 .14 .12 .07 .08 .17
[1] 3afr.a .04 .05 .06 .09 .09 .08 .09 .09
0
.05 .06 .07 .07 .07 .05 .06 .06 .05 .07 .14 .16 .08 .10 .12 .08 .11 .09 .10 .10 .08 .07 .05 .12 .06 .06 .07 .19
[1] 3vjs.a .03 .03 .04 .09 .07 .07 .12 .08 .05
0
.02 .05 .03 .04 .07 .04 .04 .04 .05 .13 .13 .08 .10 .12 .06 .08 .09 .07 .08 .12 .09 .07 .12 .10 .06 .05 .16
[1] 3vjt.a .04 .03 .04 .10 .07 .08 .11 .08 .06 .02
0
.05 .04 .03 .06 .04 .05 .04 .06 .13 .13 .08 .11 .12 .06 .09 .10 .08 .09 .12 .09 .07 .12 .10 .05 .05 .16
[1] 3vrt.a .05 .06 .06 .09 .07 .05 .10 .06 .07 .05 .05
0
.06 .06 .06 .07 .07 .04 .05 .17 .15 .09 .11 .12 .10 .08 .08 .08 .09 .09 .08 .08 .12 .10 .06 .06 .18
[1] 3vru.a .05 .04 .03 .08 .08 .08 .13 .07 .07 .03 .04 .06
0
.04 .08 .05 .06 .05 .06 .14 .14 .09 .10 .13 .08 .10 .10 .10 .09 .12 .09 .09 .12 .10 .08 .05 .16
[1] 3vrv.a .04 .02 .03 .09 .06 .08 .12 .08 .07 .04 .03 .06 .04
0
.08 .04 .06 .03 .05 .14 .14 .10 .10 .11 .08 .10 .10 .08 .10 .12 .08 .08 .11 .11 .06 .03 .18
[1] 3vrw.a .06 .07 .08 .10 .09 .09 .07 .08 .05 .07 .06 .06 .08 .08
0
.08 .08 .06 .07 .18 .18 .10 .10 .12 .08 .12 .11 .11 .10 .08 .07 .04 .14 .09 .06 .09 .19
[1] 3vt3.a .06 .05 .03 .11 .07 .09 .13 .09 .06 .04 .04 .07 .05 .04 .08
0
.04 .05 .07 .12 .13 .11 .11 .14 .08 .11 .10 .09 .09 .12 .09 .08 .12 .10 .08 .05 .18
[1] 3vt4.a .05 .06 .06 .10 .08 .07 .12 .08 .06 .04 .05 .07 .06 .06 .08 .04
0
.04 .05 .14 .13 .08 .13 .13 .06 .09 .10 .09 .10 .14 .11 .07 .10 .12 .07 .07 .18
[1] 3vt5.a .03 .04 .05 .07 .07 .06 .10 .06 .05 .04 .04 .04 .05 .03 .06 .05 .04
0
.03 .15 .15 .08 .10 .11 .07 .08 .09 .08 .09 .11 .07 .07 .11 .10 .04 .05 .16
[1] 3vt6.a .03 .04 .05 .06 .08 .07 .09 .07 .07 .05 .06 .05 .06 .05 .07 .07 .05 .03
0
.16 .14 .08 .08 .10 .07 .10 .10 .10 .10 .11 .08 .08 .11 .10 .05 .07 .17
[1] 3vt8.a .14 .14 .13 .20 .18 .18 .22 .19 .14 .13 .13 .17 .14 .14 .18 .12 .14 .15 .16
0
.02 .19 .21 .21 .15 .20 .19 .19 .18 .22 .17 .16 .22 .20 .16 .12 .27
[1] 3vt9.a .15 .13 .14 .19 .18 .17 .22 .19 .16 .13 .13 .15 .14 .14 .18 .13 .13 .15 .14 .02
0
.18 .21 .20 .15 .20 .20 .19 .20 .23 .18 .17 .21 .20 .16 .13 .27
[1] 3vtb.a .06 .08 .10 .06 .11 .07 .12 .11 .08 .08 .08 .09 .09 .10 .10 .11 .08 .08 .08 .19 .18
0
.14 .12 .08 .10 .12 .12 .12 .14 .12 .11 .07 .13 .07 .11 .18
[1] 3vtc.a .10 .09 .09 .12 .13 .12 .11 .13 .10 .10 .11 .11 .10 .10 .10 .11 .13 .10 .08 .21 .21 .14
0
.07 .13 .16 .14 .15 .14 .06 .07 .10 .17 .06 .11 .11 .22
[1] 3vtd.a .11 .10 .12 .13 .15 .12 .13 .15 .12 .12 .12 .12 .13 .11 .12 .14 .13 .11 .10 .21 .20 .12 .07
0
.12 .15 .17 .15 .17 .10 .09 .13 .15 .10 .11 .12 .18
[1] 3w0h.a .07 .05 .09 .08 .09 .08 .13 .11 .08 .06 .06 .10 .08 .08 .08 .08 .06 .07 .07 .15 .15 .08 .13 .12
0
.09 .13 .11 .12 .15 .11 .08 .13 .12 .08 .09 .17
[1] 3w5p.a .08 .10 .10 .11 .08 .07 .12 .07 .11 .08 .09 .08 .10 .10 .12 .11 .09 .08 .10 .20 .20 .10 .16 .15 .09
0
.06 .05 .06 .14 .12 .13 .13 .15 .08 .10 .18
[1] 3w5q.a .09 .11 .08 .13 .11 .09 .12 .06 .09 .09 .10 .08 .10 .10 .11 .10 .10 .09 .10 .19 .20 .12 .14 .17 .13 .06
0
.05 .05 .12 .11 .12 .15 .13 .08 .08 .22
[1] 3w5r.a .08 .10 .09 .14 .08 .09 .12 .07 .10 .07 .08 .08 .10 .08 .11 .09 .09 .08 .10 .19 .19 .12 .15 .15 .11 .05 .05
0
.04 .14 .12 .10 .15 .15 .09 .09 .20
[1] 3w5t.a .09 .10 .08 .14 .09 .11 .11 .07 .10 .08 .09 .09 .09 .10 .10 .09 .10 .09 .10 .18 .20 .12 .14 .17 .12 .06 .05 .04
0
.13 .11 .10 .17 .14 .10 .09 .20
[1] 3wt5.a .11 .12 .11 .13 .12 .12 .08 .11 .08 .12 .12 .09 .12 .12 .08 .12 .14 .11 .11 .22 .23 .14 .06 .10 .15 .14 .12 .14 .13
0
.06 .10 .17 .03 .09 .10 .24
[1] 3wt7.a .07 .08 .08 .11 .10 .10 .08 .10 .07 .09 .09 .08 .09 .08 .07 .09 .11 .07 .08 .17 .18 .12 .07 .09 .11 .12 .11 .12 .11 .06
0
.06 .15 .07 .07 .06 .19
[1] 3wtq.a .06 .08 .08 .12 .10 .10 .07 .10 .05 .07 .07 .08 .09 .08 .04 .08 .07 .07 .08 .16 .17 .11 .10 .13 .08 .13 .12 .10 .10 .10 .06
0
.16 .09 .07 .09 .20
[1] 4ynk.a .11 .11 .11 .08 .10 .10 .16 .14 .12 .12 .12 .12 .12 .11 .14 .12 .10 .11 .11 .22 .21 .07 .17 .15 .13 .13 .15 .15 .17 .17 .15 .16
0
.17 .12 .12 .21
[1] 5awj.a .09 .10 .09 .11 .12 .12 .10 .12 .06 .10 .10 .10 .10 .11 .09 .10 .12 .10 .10 .20 .20 .13 .06 .10 .12 .15 .13 .15 .14 .03 .07 .09 .17
0
.09 .10 .23
[1] 5awk.a .04 .06 .06 .07 .07 .07 .07 .07 .06 .06 .05 .06 .08 .06 .06 .08 .07 .04 .05 .16 .16 .07 .11 .11 .08 .08 .08 .09 .10 .09 .07 .07 .12 .09
0
.06 .19
[1] 5b41.a .05 .04 .03 .10 .07 .08 .12 .08 .07 .05 .05 .06 .05 .03 .09 .05 .07 .05 .07 .12 .13 .11 .11 .12 .09 .10 .08 .09 .09 .10 .06 .09 .12 .10 .06
0
.19
[1] 5b5b.a .17 .16 .18 .18 .21 .17 .22 .17 .19 .16 .16 .18 .16 .18 .19 .18 .18 .16 .17 .27 .27 .18 .22 .18 .17 .18 .22 .20 .20 .24 .19 .20 .21 .23 .19 .19
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.7 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone atoms

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
2zl9.a
2zla.a
2zlc.a
2zmh.a
2zmi.a
2zmj.a
2zxm.a
2zxn.a
3afr.a
3vjs.a
3vjt.a
3vrt.a
3vru.a
3vrv.a
3vrw.a
3vt3.a
3vt4.a
3vt5.a
3vt6.a
3vt8.a
3vt9.a
3vtb.a
3vtc.a
3vtd.a
3w0h.a
3w5p.a
3w5q.a
3w5r.a
3w5t.a
3wt5.a
3wt7.a
3wtq.a
4ynk.a
5awj.a
5awk.a
5b41.a
5b5b.a
[1] 2zl9.a
0
0.1 0.2 0.3 0.3 0.4 0.4 0.5 0.3 0.3 0.2 0.2 0.2 0.2 0.3 0.2 0.3 0.2 0.2 0.2 0.3 0.3 0.5 0.4 0.3 0.6 0.5 0.5 0.5 0.4 0.3 0.3 0.9 0.5 0.3 0.2 1.6
[1] 2zla.a 0.1
0
0.2 0.2 0.3 0.5 0.4 0.5 0.3 0.3 0.3 0.2 0.2 0.2 0.3 0.2 0.3 0.2 0.2 0.2 0.3 0.3 0.4 0.4 0.3 0.6 0.5 0.5 0.5 0.4 0.3 0.3 0.9 0.5 0.3 0.2 1.6
[1] 2zlc.a 0.2 0.2
0
0.2 0.3 0.4 0.4 0.5 0.3 0.3 0.2 0.2 0.2 0.2 0.3 0.1 0.3 0.2 0.2 0.2 0.3 0.3 0.5 0.4 0.3 0.6 0.5 0.4 0.4 0.4 0.4 0.3 0.9 0.5 0.3 0.2 1.6
[1] 2zmh.a 0.3 0.2 0.2
0
0.3 0.4 0.4 0.5 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.4 0.3 0.2 0.3 0.4 0.4 0.5 0.4 0.4 0.7 0.5 0.5 0.5 0.4 0.4 0.4 0.9 0.5 0.3 0.3 1.6
[1] 2zmi.a 0.3 0.3 0.3 0.3
0
0.4 0.4 0.5 0.3 0.3 0.3 0.3 0.3 0.3 0.4 0.3 0.4 0.3 0.3 0.3 0.4 0.4 0.5 0.4 0.4 0.6 0.5 0.5 0.5 0.4 0.4 0.3 1.0 0.5 0.4 0.3 1.6
[1] 2zmj.a 0.4 0.5 0.4 0.4 0.4
0
0.4 0.4 0.4 0.4 0.4 0.3 0.5 0.4 0.4 0.4 0.5 0.4 0.4 0.4 0.5 0.4 0.6 0.5 0.5 0.5 0.4 0.4 0.4 0.5 0.5 0.4 1.0 0.5 0.4 0.4 1.6
[1] 2zxm.a 0.4 0.4 0.4 0.4 0.4 0.4
0
0.5 0.3 0.4 0.4 0.4 0.4 0.4 0.3 0.4 0.5 0.4 0.4 0.5 0.5 0.5 0.5 0.4 0.5 0.6 0.5 0.5 0.5 0.4 0.4 0.4 1.0 0.5 0.4 0.4 1.6
[1] 2zxn.a 0.5 0.5 0.5 0.5 0.5 0.4 0.5
0
0.4 0.5 0.5 0.4 0.5 0.5 0.4 0.5 0.5 0.5 0.5 0.5 0.6 0.5 0.6 0.6 0.6 0.3 0.3 0.3 0.3 0.5 0.5 0.4 1.0 0.5 0.5 0.4 1.7
[1] 3afr.a 0.3 0.3 0.3 0.3 0.3 0.4 0.3 0.4
0
0.3 0.3 0.3 0.3 0.3 0.2 0.3 0.4 0.3 0.3 0.3 0.4 0.4 0.5 0.4 0.4 0.5 0.4 0.4 0.4 0.3 0.3 0.2 1.0 0.4 0.3 0.3 1.7
[1] 3vjs.a 0.3 0.3 0.3 0.3 0.3 0.4 0.4 0.5 0.3
0
0.1 0.3 0.3 0.2 0.4 0.3 0.4 0.3 0.3 0.2 0.3 0.3 0.5 0.4 0.3 0.6 0.5 0.5 0.4 0.5 0.4 0.4 0.9 0.5 0.4 0.3 1.6
[1] 3vjt.a 0.2 0.3 0.2 0.3 0.3 0.4 0.4 0.5 0.3 0.1
0
0.3 0.3 0.2 0.4 0.3 0.3 0.3 0.3 0.2 0.3 0.3 0.5 0.4 0.2 0.6 0.5 0.5 0.4 0.4 0.4 0.4 1.0 0.5 0.4 0.2 1.6
[1] 3vrt.a 0.2 0.2 0.2 0.3 0.3 0.3 0.4 0.4 0.3 0.3 0.3
0
0.2 0.2 0.3 0.3 0.3 0.2 0.2 0.2 0.3 0.3 0.5 0.4 0.3 0.6 0.4 0.4 0.4 0.4 0.4 0.3 1.0 0.4 0.3 0.2 1.6
[1] 3vru.a 0.2 0.2 0.2 0.3 0.3 0.5 0.4 0.5 0.3 0.3 0.3 0.2
0
0.1 0.3 0.2 0.3 0.2 0.2 0.2 0.3 0.4 0.4 0.4 0.3 0.6 0.5 0.5 0.5 0.4 0.3 0.3 1.0 0.5 0.3 0.2 1.6
[1] 3vrv.a 0.2 0.2 0.2 0.3 0.3 0.4 0.4 0.5 0.3 0.2 0.2 0.2 0.1
0
0.3 0.2 0.3 0.2 0.2 0.2 0.3 0.3 0.4 0.4 0.3 0.6 0.5 0.5 0.5 0.4 0.3 0.3 1.0 0.4 0.3 0.2 1.6
[1] 3vrw.a 0.3 0.3 0.3 0.3 0.4 0.4 0.3 0.4 0.2 0.4 0.4 0.3 0.3 0.3
0
0.3 0.4 0.3 0.3 0.4 0.4 0.4 0.5 0.4 0.4 0.6 0.5 0.5 0.5 0.3 0.3 0.2 1.0 0.4 0.4 0.3 1.6
[1] 3vt3.a 0.2 0.2 0.1 0.3 0.3 0.4 0.4 0.5 0.3 0.3 0.3 0.3 0.2 0.2 0.3
0
0.2 0.2 0.2 0.2 0.3 0.3 0.5 0.4 0.4 0.6 0.5 0.5 0.5 0.4 0.4 0.3 0.9 0.5 0.3 0.2 1.6
[1] 3vt4.a 0.3 0.3 0.3 0.4 0.4 0.5 0.5 0.5 0.4 0.4 0.3 0.3 0.3 0.3 0.4 0.2
0
0.2 0.3 0.3 0.3 0.4 0.5 0.5 0.4 0.6 0.5 0.5 0.5 0.5 0.4 0.4 0.9 0.6 0.4 0.3 1.6
[1] 3vt5.a 0.2 0.2 0.2 0.3 0.3 0.4 0.4 0.5 0.3 0.3 0.3 0.2 0.2 0.2 0.3 0.2 0.2
0
0.2 0.2 0.3 0.3 0.5 0.4 0.3 0.6 0.5 0.5 0.5 0.4 0.4 0.3 0.9 0.5 0.3 0.2 1.6
[1] 3vt6.a 0.2 0.2 0.2 0.2 0.3 0.4 0.4 0.5 0.3 0.3 0.3 0.2 0.2 0.2 0.3 0.2 0.3 0.2
0
0.2 0.3 0.4 0.5 0.4 0.3 0.6 0.5 0.5 0.5 0.4 0.3 0.3 1.0 0.5 0.3 0.2 1.6
[1] 3vt8.a 0.2 0.2 0.2 0.3 0.3 0.4 0.5 0.5 0.3 0.2 0.2 0.2 0.2 0.2 0.4 0.2 0.3 0.2 0.2
0
0.2 0.3 0.5 0.4 0.3 0.6 0.5 0.5 0.5 0.5 0.4 0.4 0.9 0.5 0.4 0.2 1.6
[1] 3vt9.a 0.3 0.3 0.3 0.4 0.4 0.5 0.5 0.6 0.4 0.3 0.3 0.3 0.3 0.3 0.4 0.3 0.3 0.3 0.3 0.2
0
0.4 0.6 0.5 0.4 0.6 0.5 0.5 0.5 0.5 0.4 0.4 0.9 0.5 0.4 0.3 1.7
[1] 3vtb.a 0.3 0.3 0.3 0.4 0.4 0.4 0.5 0.5 0.4 0.3 0.3 0.3 0.4 0.3 0.4 0.3 0.4 0.3 0.4 0.3 0.4
0
0.6 0.5 0.4 0.5 0.5 0.5 0.5 0.4 0.4 0.3 0.9 0.5 0.4 0.3 1.6
[1] 3vtc.a 0.5 0.4 0.5 0.5 0.5 0.6 0.5 0.6 0.5 0.5 0.5 0.5 0.4 0.4 0.5 0.5 0.5 0.5 0.5 0.5 0.6 0.6
0
0.4 0.5 0.7 0.7 0.7 0.7 0.3 0.4 0.5 1.1 0.3 0.6 0.5 1.6
[1] 3vtd.a 0.4 0.4 0.4 0.4 0.4 0.5 0.4 0.6 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.5 0.4 0.4 0.4 0.5 0.5 0.4
0
0.4 0.7 0.6 0.6 0.6 0.4 0.4 0.4 1.0 0.4 0.5 0.4 1.6
[1] 3w0h.a 0.3 0.3 0.3 0.4 0.4 0.5 0.5 0.6 0.4 0.3 0.2 0.3 0.3 0.3 0.4 0.4 0.4 0.3 0.3 0.3 0.4 0.4 0.5 0.4
0
0.7 0.6 0.5 0.5 0.5 0.5 0.4 1.0 0.5 0.5 0.3 1.6
[1] 3w5p.a 0.6 0.6 0.6 0.7 0.6 0.5 0.6 0.3 0.5 0.6 0.6 0.6 0.6 0.6 0.6 0.6 0.6 0.6 0.6 0.6 0.6 0.5 0.7 0.7 0.7
0
0.3 0.3 0.3 0.6 0.6 0.5 1.1 0.7 0.6 0.6 1.7
[1] 3w5q.a 0.5 0.5 0.5 0.5 0.5 0.4 0.5 0.3 0.4 0.5 0.5 0.4 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.7 0.6 0.6 0.3
0
0.2 0.2 0.5 0.6 0.4 1.1 0.6 0.5 0.4 1.7
[1] 3w5r.a 0.5 0.5 0.4 0.5 0.5 0.4 0.5 0.3 0.4 0.5 0.5 0.4 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.7 0.6 0.5 0.3 0.2
0
0.2 0.5 0.6 0.5 1.0 0.6 0.5 0.4 1.7
[1] 3w5t.a 0.5 0.5 0.4 0.5 0.5 0.4 0.5 0.3 0.4 0.4 0.4 0.4 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.7 0.6 0.5 0.3 0.2 0.2
0
0.5 0.6 0.5 1.0 0.6 0.5 0.4 1.7
[1] 3wt5.a 0.4 0.4 0.4 0.4 0.4 0.5 0.4 0.5 0.3 0.5 0.4 0.4 0.4 0.4 0.3 0.4 0.5 0.4 0.4 0.5 0.5 0.4 0.3 0.4 0.5 0.6 0.5 0.5 0.5
0
0.3 0.3 1.0 0.3 0.5 0.4 1.6
[1] 3wt7.a 0.3 0.3 0.4 0.4 0.4 0.5 0.4 0.5 0.3 0.4 0.4 0.4 0.3 0.3 0.3 0.4 0.4 0.4 0.3 0.4 0.4 0.4 0.4 0.4 0.5 0.6 0.6 0.6 0.6 0.3
0
0.3 1.0 0.4 0.4 0.3 1.6
[1] 3wtq.a 0.3 0.3 0.3 0.4 0.3 0.4 0.4 0.4 0.2 0.4 0.4 0.3 0.3 0.3 0.2 0.3 0.4 0.3 0.3 0.4 0.4 0.3 0.5 0.4 0.4 0.5 0.4 0.5 0.5 0.3 0.3
0
1.0 0.4 0.3 0.3 1.6
[1] 4ynk.a 0.9 0.9 0.9 0.9 1.0 1.0 1.0 1.0 1.0 0.9 1.0 1.0 1.0 1.0 1.0 0.9 0.9 0.9 1.0 0.9 0.9 0.9 1.1 1.0 1.0 1.1 1.1 1.0 1.0 1.0 1.0 1.0
0
1.1 1.0 0.9 1.8
[1] 5awj.a 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.4 0.5 0.5 0.4 0.5 0.4 0.4 0.5 0.6 0.5 0.5 0.5 0.5 0.5 0.3 0.4 0.5 0.7 0.6 0.6 0.6 0.3 0.4 0.4 1.1
0
0.5 0.5 1.7
[1] 5awk.a 0.3 0.3 0.3 0.3 0.4 0.4 0.4 0.5 0.3 0.4 0.4 0.3 0.3 0.3 0.4 0.3 0.4 0.3 0.3 0.4 0.4 0.4 0.6 0.5 0.5 0.6 0.5 0.5 0.5 0.5 0.4 0.3 1.0 0.5
0
0.3 1.6
[1] 5b41.a 0.2 0.2 0.2 0.3 0.3 0.4 0.4 0.4 0.3 0.3 0.2 0.2 0.2 0.2 0.3 0.2 0.3 0.2 0.2 0.2 0.3 0.3 0.5 0.4 0.3 0.6 0.4 0.4 0.4 0.4 0.3 0.3 0.9 0.5 0.3
0
1.6
[1] 5b5b.a 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.7 1.7 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.7 1.6 1.6 1.6 1.6 1.7 1.7 1.7 1.7 1.6 1.6 1.6 1.8 1.7 1.6 1.6
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.4 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue atoms

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
2zl9.a
2zla.a
2zlc.a
2zmh.a
2zmi.a
2zmj.a
2zxm.a
2zxn.a
3afr.a
3vjs.a
3vjt.a
3vrt.a
3vru.a
3vrv.a
3vrw.a
3vt3.a
3vt4.a
3vt5.a
3vt6.a
3vt8.a
3vt9.a
3vtb.a
3vtc.a
3vtd.a
3w0h.a
3w5p.a
3w5q.a
3w5r.a
3w5t.a
3wt5.a
3wt7.a
3wtq.a
4ynk.a
5awj.a
5awk.a
5b41.a
5b5b.a
[1] 2zl9.a
0
0.2 0.3 0.4 0.5 0.5 0.6 0.6 0.5 0.5 0.4 0.4 0.4 0.4 0.5 0.4 0.4 0.3 0.3 0.5 0.5 0.6 1.0 1.0 0.5 0.7 0.7 0.8 0.7 0.9 0.7 0.7 1.3 0.9 0.5 0.3 1.6
[1] 2zla.a 0.2
0
0.4 0.4 0.6 0.6 0.6 0.6 0.6 0.5 0.5 0.5 0.4 0.4 0.6 0.5 0.4 0.3 0.3 0.6 0.5 0.6 1.0 1.0 0.5 0.8 0.7 0.8 0.8 0.9 0.7 0.8 1.3 0.9 0.6 0.4 1.6
[1] 2zlc.a 0.3 0.4
0
0.5 0.5 0.5 0.5 0.6 0.5 0.5 0.5 0.4 0.4 0.4 0.5 0.3 0.5 0.4 0.4 0.4 0.6 0.5 1.1 1.0 0.6 0.7 0.6 0.7 0.7 0.9 0.7 0.7 1.3 0.9 0.5 0.2 1.6
[1] 2zmh.a 0.4 0.4 0.5
0
0.5 0.6 0.6 0.7 0.6 0.5 0.5 0.5 0.5 0.5 0.6 0.5 0.5 0.4 0.4 0.6 0.6 0.7 1.1 1.1 0.6 0.8 0.7 0.8 0.8 0.9 0.8 0.8 1.3 0.9 0.6 0.5 1.6
[1] 2zmi.a 0.5 0.6 0.5 0.5
0
0.6 0.7 0.7 0.6 0.5 0.5 0.5 0.5 0.5 0.6 0.5 0.6 0.6 0.6 0.7 0.6 0.7 1.1 1.1 0.4 0.7 0.7 0.7 0.7 0.9 0.8 0.8 1.3 1.0 0.7 0.5 1.7
[1] 2zmj.a 0.5 0.6 0.5 0.6 0.6
0
0.6 0.5 0.6 0.6 0.6 0.5 0.6 0.6 0.6 0.6 0.6 0.6 0.6 0.7 0.7 0.6 1.1 1.1 0.7 0.6 0.5 0.7 0.6 0.9 0.8 0.8 1.3 0.9 0.6 0.5 1.6
[1] 2zxm.a 0.6 0.6 0.5 0.6 0.7 0.6
0
0.6 0.5 0.7 0.6 0.6 0.6 0.6 0.5 0.6 0.6 0.5 0.5 0.7 0.7 0.7 1.1 1.1 0.7 0.8 0.7 0.8 0.7 0.8 0.6 0.7 1.4 0.8 0.6 0.5 1.7
[1] 2zxn.a 0.6 0.6 0.6 0.7 0.7 0.5 0.6
0
0.6 0.7 0.7 0.6 0.7 0.7 0.7 0.6 0.7 0.6 0.6 0.7 0.7 0.7 1.2 1.2 0.8 0.4 0.5 0.6 0.7 1.0 0.8 0.8 1.3 1.0 0.7 0.6 1.7
[1] 3afr.a 0.5 0.6 0.5 0.6 0.6 0.6 0.5 0.6
0
0.5 0.5 0.4 0.4 0.4 0.3 0.4 0.6 0.5 0.5 0.6 0.6 0.6 1.1 1.0 0.7 0.7 0.6 0.7 0.7 0.8 0.7 0.7 1.4 0.9 0.6 0.5 1.7
[1] 3vjs.a 0.5 0.5 0.5 0.5 0.5 0.6 0.7 0.7 0.5
0
0.2 0.5 0.4 0.3 0.6 0.4 0.5 0.5 0.5 0.6 0.5 0.7 1.1 1.1 0.5 0.7 0.7 0.7 0.7 0.9 0.8 0.8 1.3 1.0 0.7 0.5 1.6
[1] 3vjt.a 0.4 0.5 0.5 0.5 0.5 0.6 0.6 0.7 0.5 0.2
0
0.4 0.4 0.3 0.6 0.4 0.5 0.4 0.4 0.6 0.5 0.6 1.1 1.0 0.4 0.7 0.7 0.7 0.7 0.9 0.8 0.8 1.3 0.9 0.6 0.5 1.6
[1] 3vrt.a 0.4 0.5 0.4 0.5 0.5 0.5 0.6 0.6 0.4 0.5 0.4
0
0.4 0.4 0.5 0.4 0.5 0.4 0.5 0.6 0.6 0.6 1.1 1.0 0.5 0.7 0.6 0.6 0.6 0.9 0.7 0.7 1.3 0.9 0.5 0.4 1.6
[1] 3vru.a 0.4 0.4 0.4 0.5 0.5 0.6 0.6 0.7 0.4 0.4 0.4 0.4
0
0.2 0.4 0.3 0.5 0.4 0.4 0.5 0.5 0.6 1.0 1.0 0.5 0.8 0.7 0.7 0.7 0.9 0.7 0.8 1.4 0.9 0.6 0.4 1.6
[1] 3vrv.a 0.4 0.4 0.4 0.5 0.5 0.6 0.6 0.7 0.4 0.3 0.3 0.4 0.2
0
0.4 0.3 0.5 0.4 0.4 0.5 0.5 0.6 1.0 1.0 0.5 0.8 0.7 0.7 0.7 0.9 0.7 0.7 1.4 0.9 0.6 0.4 1.6
[1] 3vrw.a 0.5 0.6 0.5 0.6 0.6 0.6 0.5 0.7 0.3 0.6 0.6 0.5 0.4 0.4
0
0.5 0.6 0.6 0.6 0.6 0.7 0.6 1.1 1.0 0.7 0.8 0.7 0.7 0.7 0.8 0.7 0.7 1.4 0.9 0.6 0.5 1.6
[1] 3vt3.a 0.4 0.5 0.3 0.5 0.5 0.6 0.6 0.6 0.4 0.4 0.4 0.4 0.3 0.3 0.5
0
0.4 0.4 0.4 0.5 0.5 0.6 1.1 1.0 0.6 0.7 0.6 0.6 0.6 0.9 0.7 0.7 1.3 0.9 0.6 0.4 1.6
[1] 3vt4.a 0.4 0.4 0.5 0.5 0.6 0.6 0.6 0.7 0.6 0.5 0.5 0.5 0.5 0.5 0.6 0.4
0
0.3 0.4 0.6 0.6 0.7 1.1 1.1 0.6 0.8 0.7 0.8 0.7 1.0 0.8 0.8 1.2 1.0 0.6 0.5 1.7
[1] 3vt5.a 0.3 0.3 0.4 0.4 0.6 0.6 0.5 0.6 0.5 0.5 0.4 0.4 0.4 0.4 0.6 0.4 0.3
0
0.3 0.5 0.5 0.6 1.1 1.0 0.6 0.7 0.7 0.7 0.7 0.9 0.7 0.8 1.3 0.9 0.6 0.4 1.6
[1] 3vt6.a 0.3 0.3 0.4 0.4 0.6 0.6 0.5 0.6 0.5 0.5 0.4 0.5 0.4 0.4 0.6 0.4 0.4 0.3
0
0.5 0.5 0.6 1.1 1.0 0.6 0.7 0.7 0.7 0.7 0.9 0.7 0.8 1.3 0.9 0.6 0.4 1.6
[1] 3vt8.a 0.5 0.6 0.4 0.6 0.7 0.7 0.7 0.7 0.6 0.6 0.6 0.6 0.5 0.5 0.6 0.5 0.6 0.5 0.5
0
0.4 0.7 1.1 1.1 0.7 0.8 0.7 0.8 0.8 1.0 0.8 0.8 1.3 1.0 0.7 0.5 1.7
[1] 3vt9.a 0.5 0.5 0.6 0.6 0.6 0.7 0.7 0.7 0.6 0.5 0.5 0.6 0.5 0.5 0.7 0.5 0.6 0.5 0.5 0.4
0
0.7 1.2 1.1 0.7 0.8 0.8 0.8 0.8 1.0 0.8 0.8 1.3 1.0 0.7 0.6 1.7
[1] 3vtb.a 0.6 0.6 0.5 0.7 0.7 0.6 0.7 0.7 0.6 0.7 0.6 0.6 0.6 0.6 0.6 0.6 0.7 0.6 0.6 0.7 0.7
0
1.2 1.1 0.7 0.7 0.7 0.8 0.8 1.0 0.8 0.8 1.3 0.9 0.7 0.5 1.6
[1] 3vtc.a 1.0 1.0 1.1 1.1 1.1 1.1 1.1 1.2 1.1 1.1 1.1 1.1 1.0 1.0 1.1 1.1 1.1 1.1 1.1 1.1 1.2 1.2
0
0.6 1.1 1.3 1.2 1.3 1.2 1.1 1.1 1.2 1.6 1.1 1.1 1.1 1.8
[1] 3vtd.a 1.0 1.0 1.0 1.1 1.1 1.1 1.1 1.2 1.0 1.1 1.0 1.0 1.0 1.0 1.0 1.0 1.1 1.0 1.0 1.1 1.1 1.1 0.6
0
1.0 1.2 1.2 1.2 1.2 1.1 1.1 1.2 1.6 1.1 1.1 1.0 1.8
[1] 3w0h.a 0.5 0.5 0.6 0.6 0.4 0.7 0.7 0.8 0.7 0.5 0.4 0.5 0.5 0.5 0.7 0.6 0.6 0.6 0.6 0.7 0.7 0.7 1.1 1.0
0
0.8 0.8 0.8 0.8 1.0 0.8 0.9 1.3 1.0 0.7 0.6 1.7
[1] 3w5p.a 0.7 0.8 0.7 0.8 0.7 0.6 0.8 0.4 0.7 0.7 0.7 0.7 0.8 0.8 0.8 0.7 0.8 0.7 0.7 0.8 0.8 0.7 1.3 1.2 0.8
0
0.4 0.6 0.6 1.0 0.9 0.9 1.4 1.1 0.8 0.7 1.7
[1] 3w5q.a 0.7 0.7 0.6 0.7 0.7 0.5 0.7 0.5 0.6 0.7 0.7 0.6 0.7 0.7 0.7 0.6 0.7 0.7 0.7 0.7 0.8 0.7 1.2 1.2 0.8 0.4
0
0.5 0.5 1.0 0.8 0.8 1.4 1.0 0.7 0.6 1.7
[1] 3w5r.a 0.8 0.8 0.7 0.8 0.7 0.7 0.8 0.6 0.7 0.7 0.7 0.6 0.7 0.7 0.7 0.6 0.8 0.7 0.7 0.8 0.8 0.8 1.3 1.2 0.8 0.6 0.5
0
0.3 1.0 0.9 0.9 1.4 1.1 0.8 0.7 1.7
[1] 3w5t.a 0.7 0.8 0.7 0.8 0.7 0.6 0.7 0.7 0.7 0.7 0.7 0.6 0.7 0.7 0.7 0.6 0.7 0.7 0.7 0.8 0.8 0.8 1.2 1.2 0.8 0.6 0.5 0.3
0
1.0 0.9 0.9 1.4 1.0 0.7 0.6 1.6
[1] 3wt5.a 0.9 0.9 0.9 0.9 0.9 0.9 0.8 1.0 0.8 0.9 0.9 0.9 0.9 0.9 0.8 0.9 1.0 0.9 0.9 1.0 1.0 1.0 1.1 1.1 1.0 1.0 1.0 1.0 1.0
0
0.6 0.8 1.5 0.7 0.9 0.9 1.7
[1] 3wt7.a 0.7 0.7 0.7 0.8 0.8 0.8 0.6 0.8 0.7 0.8 0.8 0.7 0.7 0.7 0.7 0.7 0.8 0.7 0.7 0.8 0.8 0.8 1.1 1.1 0.8 0.9 0.8 0.9 0.9 0.6
0
0.6 1.4 0.7 0.7 0.7 1.6
[1] 3wtq.a 0.7 0.8 0.7 0.8 0.8 0.8 0.7 0.8 0.7 0.8 0.8 0.7 0.8 0.7 0.7 0.7 0.8 0.8 0.8 0.8 0.8 0.8 1.2 1.2 0.9 0.9 0.8 0.9 0.9 0.8 0.6
0
1.4 0.8 0.7 0.7 1.6
[1] 4ynk.a 1.3 1.3 1.3 1.3 1.3 1.3 1.4 1.3 1.4 1.3 1.3 1.3 1.4 1.4 1.4 1.3 1.2 1.3 1.3 1.3 1.3 1.3 1.6 1.6 1.3 1.4 1.4 1.4 1.4 1.5 1.4 1.4
0
1.5 1.4 1.3 2.0
[1] 5awj.a 0.9 0.9 0.9 0.9 1.0 0.9 0.8 1.0 0.9 1.0 0.9 0.9 0.9 0.9 0.9 0.9 1.0 0.9 0.9 1.0 1.0 0.9 1.1 1.1 1.0 1.1 1.0 1.1 1.0 0.7 0.7 0.8 1.5
0
0.9 0.9 1.8
[1] 5awk.a 0.5 0.6 0.5 0.6 0.7 0.6 0.6 0.7 0.6 0.7 0.6 0.5 0.6 0.6 0.6 0.6 0.6 0.6 0.6 0.7 0.7 0.7 1.1 1.1 0.7 0.8 0.7 0.8 0.7 0.9 0.7 0.7 1.4 0.9
0
0.5 1.6
[1] 5b41.a 0.3 0.4 0.2 0.5 0.5 0.5 0.5 0.6 0.5 0.5 0.5 0.4 0.4 0.4 0.5 0.4 0.5 0.4 0.4 0.5 0.6 0.5 1.1 1.0 0.6 0.7 0.6 0.7 0.6 0.9 0.7 0.7 1.3 0.9 0.5
0
1.6
[1] 5b5b.a 1.6 1.6 1.6 1.6 1.7 1.6 1.7 1.7 1.7 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.7 1.6 1.6 1.7 1.7 1.6 1.8 1.8 1.7 1.7 1.7 1.7 1.6 1.7 1.6 1.6 2.0 1.8 1.6 1.6
0
[Binding site full-atom RMSD matrix]







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