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PPARD_HUMAN_169_441

Peroxisome proliferator-activated receptor delta [Nuclear hormone receptor family. NR1 subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (PPARD_HUMAN):D: NR LBD (213, 219, 222, 223, 228, 242, 244:246, 248:250, 252, 253, 255, 256, 259, 287, 290, 291, 293, 294, 297, 298, 303, 305, 312, 316, 317, 320, 324, 327, 328, 331, 332, 335, 413, 417, 429, 433, 437)
190:192
190:192, 213, 219, 222, 223, 228, 242, 244:246, 248:250, 252, 253, 255, 256, 259, 287, 290, 291, 293, 294, 297, 298, 303, 305, 312, 316, 317, 320, 324, 327, 328, 331, 332, 335, 413, 417, 429, 433, 437
Cofactors (cF):b7g

Full PDB list

1gwx, 1y0s, 2awh, 2b50, 2baw, 2gwx, 2j14, 2q5g, 2xyj, 2xyw, 2xyx, 2znp, 2znq, 3d5f, 3dy6, 3et2, 3gwx, 3gz9, 3oz0, 3peq, 3sp9, 3tkm, 5u3q, 5u3r, 5u3s, 5u3t, 5u3u, 5u3v, 5u3w, 5u3x, 5u3y, 5u3z, 5u40, 5u41, 5u42, 5u43, 5u44, 5u45, 5u46 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF
M
1
9
2
I
2
1
3
L
2
1
9
E
2
2
3
W
2
2
8
V
2
4
5
F
2
4
6
R
2
4
8
C
2
4
9
Q
2
5
0
T
2
5
2
T
2
5
3
T
2
5
6
H
2
8
7
I
2
9
0
F
2
9
1
M
2
9
3
L
2
9
4
I
2
9
7
V
2
9
8
L
3
0
3
V
3
0
5
V
3
1
2
F
3
1
6
L
3
1
7
F
3
2
4
I
3
2
7
I
3
2
8
K
3
3
1
F
3
3
2
H
4
1
3
M
4
1
7
L
4
2
9
L
4
3
3
Y
4
3
7
[1]1gwx.a 43338 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1y0s.a 33135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . b7g
[1]2awh.a vca20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . b7g
[1]2gwx.b none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2j14.b gni35 . . . . - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2q5g.a 1fa42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - . .
[1]2xyj.a wlm32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2xyw.a 08s34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2xyx.a z0032 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2znp.b k5533 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2znq.a 40130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . b7g
[1]3d5f.a l4129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3dy6.a dy631 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3et2.a et127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3gwx.a epa22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3gz9.a d3236 . . . . . . . . . . . . . . . . . . L . . . . . . . . . . . . . . . . b7g
[1]3oz0.a 3oz33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3peq.a 3eq38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3sp9.a il226 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3tkm.a gw031 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5u3q.a 7uj34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . b7g
[1]5u3r.a 7v133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . b7g
[1]5u3s.b 7v433 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . b7g
[1]5u3t.b 7uy33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . b7g
[1]5u3u.a 7tv35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . b7g
[1]5u3v.a 7ty35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . b7g
[1]5u3w.a 7u134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . b7g
[1]5u3x.a 7u434 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . b7g
[1]5u3y.a 7u733 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . b7g
[1]5u3z.a 7ua33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . b7g
[1]5u40.b 7ud37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . b7g
[1]5u41.b 7ug37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . b7g
[1]5u42.a 7sm36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . b7g
[1]5u43.b 7ss36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . b7g
[1]5u44.b 7sv35 . . . . - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5u45.b 7sy35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5u46.a 7t130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . b7g

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 cF
F
1
9
0
N
1
9
1
M
1
9
2
I
2
1
3
L
2
1
9
A
2
2
2
E
2
2
3
W
2
2
8
S
2
4
2
H
2
4
4
V
2
4
5
F
2
4
6
R
2
4
8
C
2
4
9
Q
2
5
0
T
2
5
2
T
2
5
3
E
2
5
5
T
2
5
6
E
2
5
9
H
2
8
7
I
2
9
0
F
2
9
1
M
2
9
3
L
2
9
4
I
2
9
7
V
2
9
8
L
3
0
3
V
3
0
5
V
3
1
2
F
3
1
6
L
3
1
7
L
3
2
0
F
3
2
4
I
3
2
7
I
3
2
8
K
3
3
1
F
3
3
2
A
3
3
5
H
4
1
3
M
4
1
7
L
4
2
9
L
4
3
3
Y
4
3
7
[1]1gwx.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . * * . . . . . . . .
[1]1y0s.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . b7g
[1]2awh.a . . . . * . . . . . . . . . . . * . . . . . . . * . . . . . . . . . . * . . . . . . . . b7g
[1]2gwx.b . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . * . . .
[1]2j14.b . . . . * . . - . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . .
[1]2q5g.a . . . . . . . . . . . * . . . . . . . . . . . . * . . . . . . . . . . * . . . . . - . .
[1]2xyj.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . *
[1]2xyw.a . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . . . * . . . . * . . *
[1]2xyx.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . *
[1]2znp.b . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . * * . . . . . . . .
[1]2znq.a . . . . * . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . b7g
[1]3d5f.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . .
[1]3dy6.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . *
[1]3et2.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . .
[1]3gwx.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . .
[1]3gz9.a . . . . * . . . . . . . . . . . . . . . . . . . * L . . . . . . . . . * . . . . . . . . b7g
[1]3oz0.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . .
[1]3peq.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . .
[1]3sp9.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . *
[1]3tkm.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . .
[1]5u3q.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . b7g
[1]5u3r.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . b7g
[1]5u3s.b . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . b7g
[1]5u3t.b . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . b7g
[1]5u3u.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . b7g
[1]5u3v.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . b7g
[1]5u3w.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . b7g
[1]5u3x.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . b7g
[1]5u3y.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . b7g
[1]5u3z.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . b7g
[1]5u40.b . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . b7g
[1]5u41.b . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . b7g
[1]5u42.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . b7g
[1]5u43.b . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . b7g
[1]5u44.b . . . . . . . - . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . .
[1]5u45.b . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . .
[1]5u46.a . . . . * . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . b7g

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
1gwx.a:433
1y0s.a:331
2awh.a:vca
2gwx.b is apo
2j14.b:gni
2q5g.a:1fa
2xyj.a:wlm
2xyw.a:08s
2xyx.a:z00
2znp.b:k55
2znq.a:401
3d5f.a:l41
3dy6.a:dy6
3et2.a:et1
3gwx.a:epa
3gz9.a:d32
3oz0.a:3oz
3peq.a:3eq
3sp9.a:il2
3tkm.a:gw0
5u3q.a:7uj
5u3r.a:7v1
5u3s.b:7v4
5u3t.b:7uy
5u3u.a:7tv
5u3v.a:7ty
5u3w.a:7u1
5u3x.a:7u4
5u3y.a:7u7
5u3z.a:7ua
5u40.b:7ud
5u41.b:7ug
5u42.a:7sm
5u43.b:7ss
5u44.b:7sv
5u45.b:7sy
5u46.a:7t1
[1] 1gwx.a
0.3
0.4 0.2 - 2.1 0.1 0.3 0.4 0.4 0.8 0.5 0.4 0 0.4 0.3 1.1 2.3 2.4 0.2 0.5 0.1 0.1 0.1 0.1 0.2 0.3 0.1 0.2 0.1 0.1 2.4 2.7 0.6 0.6 0.2 0.1 0.6
[1] 1y0s.a 0.4
0.2
0.4 - 2.5 0.2 0.9 0.7 0.7 1.3 0.9 1.3 0.3 0.6 0.2 1.7 2.3 2.3 0.1 0.3 0.9 0.7 0.8 0.8 1.0 0.9 0.8 0.7 0.6 0.7 3.9 3.7 1.3 1.5 0.8 0.7 0.5
[1] 2awh.a 1.3 1.5
0.1
- 1.8 0.8 1.8 1.6 1.7 0.6 0.2 0.2 0.3 1.1 0.3 1.4 2.0 1.6 0.1 0.4 0.3 0.4 0.5 0.4 0.6 0.4 0.6 0.4 0.3 0.3 2.5 2.5 1.3 1.4 0.8 0.6 0.9
[1] 2gwx.b 0.8 1.3 0.1
-
2.1 0.7 1.0 1.0 1.1 0.7 0.2 0.1 0.1 0.9 0.5 0.6 2.1 1.6 0.1 0.2 0.6 0.3 0.6 0.6 0.7 0.6 0.2 0.2 0.2 0.2 2.9 2.9 0.4 0.6 0.1 0.2 0.4
[1] 2j14.b 3.8 3.1 0.2 -
0
1.9 1.1 1.7 1.2 0.6 0.3 0.4 0.7 1.1 2.3 0.7 0.5 0.8 0.4 0.4 0.8 0.7 1.1 0.9 1.3 1.6 0.8 0.7 0.6 0.7 1.3 1.1 1.4 1.7 1.1 0.9 0.4
[1] 2q5g.a 0.9 0.5 0.2 - 2.3
0
2.2 1.7 2.2 0.9 0.2 0.2 0.2 1.8 0.4 0.9 1.7 2.2 0.2 0.2 0.4 0.4 0.4 0.4 0.7 0.4 0.5 0.5 0.4 0.3 2.9 2.9 0.5 0.5 0.3 0.5 0.7
[1] 2xyj.a 1.1 1.2 0.7 - 3.2 0.3
0
0.1 0 1.6 1.4 1.5 0.2 0.6 0.9 2.2 2.7 2.4 0.4 0.9 1.1 1.3 1.4 1.3 1.3 1.2 1.5 1.3 1.3 1.3 3.9 4.2 1.7 2.1 1.5 1.2 0.8
[1] 2xyw.a 1.6 1.4 1.0 - 3.1 1.1 0.1
0
0.1 2.6 2.3 1.6 0.2 1.2 1.1 2.8 2.7 2.8 0.6 1.3 2.5 2.1 2.1 2.3 2.4 2.3 2.0 2.1 2.5 2.6 5.3 4.6 2.1 2.5 2.7 2.1 1.3
[1] 2xyx.a 1.3 1.4 0.7 - 3.3 0.6 0.1 0.3
0
1.8 1.8 1.6 0.2 0.6 1.0 2.3 3.0 2.7 0.5 0.9 1.5 1.6 1.6 1.5 1.7 1.4 1.4 1.5 1.6 1.6 4.5 4.5 1.5 2.3 1.5 1.3 1.1
[1] 2znp.b 1.7 1.3 0.3 - 1.6 0.9 1.3 1.4 1.3
0.2
0.1 0.3 0.4 0.9 0.7 1.0 1.6 1.5 0.2 0.6 1.1 1.1 1.0 0.8 0.9 0.9 0.8 0.7 0.5 0.5 2.9 2.7 1.2 1.4 0.8 0.8 0.8
[1] 2znq.a 1.6 1.5 0.4 - 2.2 0.4 1.2 1.1 1.1 0.5
0
0.4 0.2 0.6 0.8 1.0 2.0 1.1 0.1 0.4 0.6 0.6 0.6 0.5 0.9 0.8 0.8 0.3 0.4 0.3 3.1 2.8 1.1 1.2 0.7 0.5 0.8
[1] 3d5f.a 0.8 0.7 0.1 - 1.5 0.4 1.4 1.3 1.8 0.4 0.2
0
0.4 1.2 0.5 0.6 1.3 0.9 0.2 0.3 0.1 0.2 0.3 0.2 0.3 0.2 0 0.1 0 0 2.2 2.4 0.4 0.4 0.3 0.2 0.4
[1] 3dy6.a 1.4 1.4 0.6 - 1.8 0.5 1.2 1.1 0.6 1.3 0.7 0.7
0
1.2 0.9 2.2 2.5 2.4 0.5 0.7 1.2 1.4 1.2 1.3 1.5 1.2 1.0 1.0 1.2 1.1 3.7 3.7 1.6 2.1 1.3 1.0 0.9
[1] 3et2.a 1.1 1.0 0.5 - 3.2 0.9 0.1 0.6 0.3 1.8 1.7 1.3 0.2
0
0.7 2.1 3.3 3.6 0.2 0.7 1.6 1.6 1.7 1.6 1.7 1.8 1.4 1.6 1.6 1.8 4.4 4.6 2.1 2.7 1.8 1.6 0.6
[1] 3gwx.a 0.7 0.6 0.1 - 1.6 0.3 1.1 1.1 1.3 0.9 0.2 0 0 0.8
0.2
1.1 2.0 1.3 0.2 0.1 0.1 0.1 0.2 0.1 0.3 0.2 0.1 0.2 0.1 0.2 2.3 2.4 0.4 0.6 0.2 0.1 0.5
[1] 3gz9.a 2.3 2.0 0.2 - 0.6 1.0 1.5 1.6 1.7 0.6 0.2 0.1 0.4 0.8 1.2
0.1
0.7 0.8 0.2 0.2 0.7 0.7 0.7 0.8 1.1 1.1 0.5 0.4 0.3 0.3 2.0 2.3 1.5 1.8 0.5 0.6 0.3
[1] 3oz0.a 3.0 3.0 0.2 - 0 1.5 1.7 2.2 1.8 0.1 0.3 0.2 0.8 1.1 1.9 0.3
0.1
1.0 0.4 0.3 0.7 0.9 0.9 0.8 1.3 1.2 0.9 0.8 0.6 0.6 1.3 1.5 0.9 0.9 0.7 0.8 0.2
[1] 3peq.a 1.0 1.0 0.2 - 1.7 0.6 1.2 0.8 1.2 0.3 0.2 0.1 0.4 0.5 0.6 0.7 1.5
0
0.2 0.2 0.4 0.1 0.2 0.4 0.3 0.3 0.3 0.1 0.3 0.2 2.6 2.7 0.8 0.9 0.4 0.3 0
[1] 3sp9.a 1.9 1.2 0.2 - 2.2 0.7 2.5 2.1 1.9 1.0 0.8 0.7 0.3 1.8 0.7 1.9 2.3 2.1
0
0.7 1.3 0.6 0.9 1.8 0.6 1.2 1.9 0.7 0.6 0.7 2.8 2.5 2.5 1.5 1.1 1.0 1.2
[1] 3tkm.a 0.8 0.8 0.1 - 1.5 0.6 1.1 0.9 1.0 0.6 0.5 0.3 0 0.5 0.2 1.2 1.4 1.4 0.1
0
0.5 0.5 0.5 0.5 0.7 0.7 0.4 0.2 0.2 0.2 2.9 2.9 0.7 1.0 0.6 0.2 0.1
[1] 5u3q.a 0.7 0.7 0.1 - 1.7 0.2 1.2 0.8 1.3 0.9 0.2 0.2 0.1 0.8 0.3 1.1 1.7 1.1 0 0.3
0
0.2 0.2 0 0.2 0.1 0.1 0.2 0.2 0.2 2.2 2.2 0.4 0.5 0.2 0.2 0.5
[1] 5u3r.a 0.7 0.7 0.1 - 1.6 0.2 1.2 0.8 1.6 0.5 0.2 0.1 0.2 1.1 0.3 1.0 1.8 1.0 0.1 0.4 0
0.2
0.2 0 0.2 0.1 0 0.1 0.1 0.2 2.5 2.4 0.7 0.6 0.4 0.4 0.5
[1] 5u3s.b 0.5 1.2 0.1 - 1.7 0.2 1.2 0.8 1.4 0.7 0.2 0.1 0.2 0.8 0.4 1.1 1.6 1.1 0 0.2 0 0
0.1
0 0.2 0.1 0 0.1 0.1 0.1 2.1 2.2 0.5 0.7 0.3 0.1 0.4
[1] 5u3t.b 0.5 0.7 0.1 - 1.9 0.2 1.3 0.9 1.5 0.6 0.2 0.1 0.1 0.8 0.4 0.9 2.1 1.3 0 0.4 0 0.2 0.2
0
0.2 0.1 0 0.2 0.2 0.2 2.2 2.2 0.2 0.6 0.3 0.3 0.4
[1] 5u3u.a 0.8 0.9 0.4 - 2.0 0.3 1.3 0.9 1.5 0.6 0.3 0.2 0.2 0.7 0.4 0.8 1.9 0.9 0 0.4 0 0.2 0.2 0
0.2
0.1 0 0.2 0.2 0.3 2.6 2.4 0.7 0.9 0.3 0.3 0.5
[1] 5u3v.a 0.7 0.9 0.1 - 1.6 0.4 1.2 0.6 1.4 0.5 0.3 0.2 0.1 0.7 0.3 1.2 1.8 0.8 0 0.4 0 0.3 0.2 0 0.2
0.1
0.1 0.2 0.2 0.3 2.6 2.6 0.4 0.5 0.4 0.2 0.4
[1] 5u3w.a 0.7 0.6 0.2 - 2.0 0.1 1.0 0.8 1.5 0.6 0.3 0.1 0.2 0.8 0.5 0.4 1.6 0.9 0 0.3 0 0.2 0.2 0 0.2 0.1
0
0.3 0.2 0.3 2.6 2.6 0.2 0.7 0.2 0.2 0.4
[1] 5u3x.a 0.8 1.0 0 - 1.6 0.5 1.5 1.0 1.6 0.6 0.2 0.1 0.3 1.0 0.3 1.1 1.8 1.1 0.1 0.2 0.1 0 0.1 0.1 0.3 0.1 0
0.1
0 0 2.4 2.2 0.6 0.5 0.3 0.2 0.4
[1] 5u3y.a 1.2 0.9 0 - 1.8 0.5 1.5 1.1 1.6 0.4 0.3 0.1 0.3 1.0 0.3 1.0 1.9 1.1 0 0.3 0.2 0.2 0.1 0.2 0.3 0.3 0.2 0
0
0 2.4 2.2 0.8 0.7 0.4 0.2 0.4
[1] 5u3z.a 1.0 0.9 0.1 - 1.9 0.3 1.4 1.1 1.6 0.6 0.2 0.1 0.3 1.0 0.3 0.9 1.7 1.1 0.1 0.3 0.1 0.1 0.1 0.1 0.3 0.2 0.1 0.1 0.1
0.1
2.5 2.4 0.4 0.5 0.2 0.1 0.5
[1] 5u40.b 3.9 3.8 0 - 0.2 1.5 1.4 1.0 1.6 0.3 0.2 0.1 0.1 0.7 2.9 0.5 0.8 0.6 0 0.4 0.1 0.3 0.3 0.1 0.4 0.4 0.1 0.2 0 0.1
0
0.1 0.6 0.5 0.5 0.2 0.4
[1] 5u41.b 3.9 3.7 0 - 0.2 1.5 1.3 1.0 1.5 0.3 0.2 0.1 0.1 0.6 2.9 0.5 0.8 0.9 0 0.4 0.1 0.3 0.2 0.1 0.4 0.3 0 0.3 0 0.2 0
0.1
0.3 0.4 0.3 0.2 0.5
[1] 5u42.a 0.8 0.7 0.2 - 1.8 0.1 1.0 0.7 1.5 0.6 0.3 0.1 0.2 0.4 0.3 0.7 1.8 1.1 0 0.4 0 0.2 0.2 0 0.2 0.1 0 0.3 0.2 0.3 2.6 2.6
0.1
0.3 0.2 0.2 0.5
[1] 5u43.b 0.9 1.0 0 - 1.6 0.4 1.3 1.0 1.3 0.5 0.2 0.1 0.2 0.8 0.2 1.1 1.8 1.1 0.1 0.2 0.1 0.2 0.2 0.1 0.3 0.2 0 0.2 0.1 0.2 2.5 2.5 0.1
0.1
0.2 0.2 0.5
[1] 5u44.b 0.6 0.6 0.1 - 1.8 0.1 1.3 1.1 1.4 0.6 0.1 0.1 0.2 1.0 0.2 0.7 1.7 1.0 0 0.1 0.1 0.1 0.1 0.1 0.3 0.2 0 0 0.1 0 2.5 2.3 0.2 0.4
0.1
0.1 0.3
[1] 5u45.b 0.8 0.7 0.1 - 1.6 0.2 1.1 0.8 1.5 0.5 0.2 0.1 0.2 0.7 0.4 0.7 1.8 0.9 0 0.1 0 0.1 0.1 0 0.3 0.1 0 0.1 0.1 0.2 2.5 2.6 0.1 0.3 0.2
0.1
0.4
[1] 5u46.a 0.7 0.9 0.2 - 1.9 0.3 1.4 1.2 1.0 0.5 0.3 0.3 0.3 0.9 0.1 0.6 1.6 1.1 0.1 0 0.3 0.2 0.3 0.3 0.5 0.5 0.4 0.1 0.1 0.2 2.8 2.6 0.7 1.0 0.5 0.4
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
1gwx.a
1y0s.a
2awh.a
2gwx.b
2j14.b
2q5g.a
2xyj.a
2xyw.a
2xyx.a
2znp.b
2znq.a
3d5f.a
3dy6.a
3et2.a
3gwx.a
3gz9.a
3oz0.a
3peq.a
3sp9.a
3tkm.a
5u3q.a
5u3r.a
5u3s.b
5u3t.b
5u3u.a
5u3v.a
5u3w.a
5u3x.a
5u3y.a
5u3z.a
5u40.b
5u41.b
5u42.a
5u43.b
5u44.b
5u45.b
5u46.a
[1] 1gwx.a
0
.07 .10 .08 .13 .11 .09 .12 .09 .07 .09 .08 .08 .08 .05 .12 .11 .08 .14 .06 .09 .07 .09 .08 .08 .07 .08 .07 .08 .08 .08 .09 .07 .09 .08 .07 .09
[1] 1y0s.a .07
0
.08 .11 .14 .13 .10 .10 .09 .09 .10 .06 .10 .07 .07 .13 .10 .07 .15 .08 .08 .05 .09 .09 .06 .07 .07 .07 .07 .07 .07 .08 .06 .07 .07 .06 .10
[1] 2awh.a .10 .08
0
.10 .10 .14 .10 .09 .08 .09 .06 .07 .06 .09 .09 .11 .08 .10 .12 .08 .07 .07 .06 .07 .06 .07 .08 .06 .06 .07 .08 .08 .09 .07 .08 .09 .08
[1] 2gwx.b .08 .11 .10
0
.10 .10 .10 .10 .09 .07 .08 .08 .08 .11 .07 .10 .09 .09 .14 .05 .08 .09 .08 .07 .07 .08 .08 .06 .07 .06 .08 .07 .08 .06 .07 .08 .07
[1] 2j14.b .13 .14 .10 .10
0
.12 .11 .11 .10 .12 .07 .10 .10 .15 .12 .09 .08 .10 .12 .08 .11 .11 .11 .10 .11 .10 .11 .10 .10 .10 .10 .11 .11 .09 .11 .10 .06
[1] 2q5g.a .11 .13 .14 .10 .12
0
.13 .15 .12 .12 .11 .10 .13 .15 .11 .14 .12 .10 .14 .09 .11 .12 .11 .10 .11 .11 .10 .11 .12 .10 .11 .12 .10 .11 .08 .11 .08
[1] 2xyj.a .09 .10 .10 .10 .11 .13
0
.08 .05 .11 .09 .09 .08 .12 .08 .14 .09 .10 .11 .07 .08 .09 .09 .08 .08 .06 .07 .09 .10 .09 .10 .09 .07 .09 .09 .09 .10
[1] 2xyw.a .12 .10 .09 .10 .11 .15 .08
0
.06 .12 .08 .09 .08 .11 .11 .13 .10 .10 .12 .08 .08 .09 .09 .09 .08 .05 .08 .08 .09 .08 .08 .07 .07 .07 .10 .08 .09
[1] 2xyx.a .09 .09 .08 .09 .10 .12 .05 .06
0
.10 .09 .07 .06 .09 .08 .10 .08 .10 .12 .07 .04 .07 .07 .06 .06 .04 .05 .08 .08 .07 .08 .06 .05 .07 .07 .06 .08
[1] 2znp.b .07 .09 .09 .07 .12 .12 .11 .12 .10
0
.06 .09 .08 .09 .08 .12 .11 .09 .13 .07 .10 .09 .11 .10 .09 .10 .10 .09 .09 .10 .09 .10 .10 .10 .10 .10 .09
[1] 2znq.a .09 .10 .06 .08 .07 .11 .09 .08 .09 .06
0
.09 .08 .10 .08 .12 .09 .08 .14 .05 .09 .10 .08 .09 .08 .07 .09 .08 .09 .09 .08 .08 .09 .09 .09 .09 .06
[1] 3d5f.a .08 .06 .07 .08 .10 .10 .09 .09 .07 .09 .09
0
.08 .08 .07 .09 .08 .07 .12 .07 .05 .04 .06 .05 .05 .05 .05 .04 .04 .05 .05 .07 .05 .05 .05 .05 .07
[1] 3dy6.a .08 .10 .06 .08 .10 .13 .08 .08 .06 .08 .08 .08
0
.08 .07 .11 .09 .08 .10 .05 .07 .07 .08 .08 .06 .06 .08 .07 .06 .08 .08 .08 .08 .07 .09 .08 .07
[1] 3et2.a .08 .07 .09 .11 .15 .15 .12 .11 .09 .09 .10 .08 .08
0
.10 .14 .12 .10 .14 .10 .08 .07 .10 .10 .07 .08 .08 .09 .08 .10 .08 .08 .09 .10 .10 .09 .11
[1] 3gwx.a .05 .07 .09 .07 .12 .11 .08 .11 .08 .08 .08 .07 .07 .10
0
.11 .08 .07 .13 .06 .07 .08 .08 .06 .06 .06 .07 .07 .07 .07 .07 .08 .06 .07 .07 .07 .08
[1] 3gz9.a .12 .13 .11 .10 .09 .14 .14 .13 .10 .12 .12 .09 .11 .14 .11
0
.08 .12 .14 .09 .09 .09 .08 .09 .10 .10 .10 .10 .09 .09 .09 .09 .09 .09 .10 .09 .07
[1] 3oz0.a .11 .10 .08 .09 .08 .12 .09 .10 .08 .11 .09 .08 .09 .12 .08 .08
0
.10 .12 .06 .06 .08 .06 .06 .08 .08 .07 .06 .07 .06 .08 .08 .07 .06 .07 .08 .07
[1] 3peq.a .08 .07 .10 .09 .10 .10 .10 .10 .10 .09 .08 .07 .08 .10 .07 .12 .10
0
.13 .05 .09 .06 .08 .08 .07 .07 .08 .08 .08 .08 .08 .09 .06 .07 .07 .07 .06
[1] 3sp9.a .14 .15 .12 .14 .12 .14 .11 .12 .12 .13 .14 .12 .10 .14 .13 .14 .12 .13
0
.14 .11 .12 .12 .10 .10 .12 .13 .12 .11 .13 .11 .12 .13 .13 .14 .13 .12
[1] 3tkm.a .06 .08 .08 .05 .08 .09 .07 .08 .07 .07 .05 .07 .05 .10 .06 .09 .06 .05 .14
0
.06 .06 .06 .07 .06 .05 .06 .05 .06 .05 .06 .06 .05 .05 .06 .06 .03
[1] 5u3q.a .09 .08 .07 .08 .11 .11 .08 .08 .04 .10 .09 .05 .07 .08 .07 .09 .06 .09 .11 .06
0
.05 .02 .02 .04 .04 .03 .05 .06 .04 .07 .06 .04 .04 .04 .04 .07
[1] 5u3r.a .07 .05 .07 .09 .11 .12 .09 .09 .07 .09 .10 .04 .07 .07 .08 .09 .08 .06 .12 .06 .05
0
.05 .05 .03 .04 .03 .03 .02 .03 .05 .06 .03 .04 .04 .02 .07
[1] 5u3s.b .09 .09 .06 .08 .11 .11 .09 .09 .07 .11 .08 .06 .08 .10 .08 .08 .06 .08 .12 .06 .02 .05
0
.03 .06 .06 .04 .05 .06 .04 .07 .07 .05 .05 .05 .05 .06
[1] 5u3t.b .08 .09 .07 .07 .10 .10 .08 .09 .06 .10 .09 .05 .08 .10 .06 .09 .06 .08 .10 .07 .02 .05 .03
0
.04 .05 .04 .05 .05 .04 .07 .06 .05 .05 .04 .04 .07
[1] 5u3u.a .08 .06 .06 .07 .11 .11 .08 .08 .06 .09 .08 .05 .06 .07 .06 .10 .08 .07 .10 .06 .04 .03 .06 .04
0
.04 .04 .03 .03 .04 .04 .04 .03 .05 .05 .04 .07
[1] 5u3v.a .07 .07 .07 .08 .10 .11 .06 .05 .04 .10 .07 .05 .06 .08 .06 .10 .08 .07 .12 .05 .04 .04 .06 .05 .04
0
.04 .05 .05 .05 .05 .05 .02 .04 .05 .03 .07
[1] 5u3w.a .08 .07 .08 .08 .11 .10 .07 .08 .05 .10 .09 .05 .08 .08 .07 .10 .07 .08 .13 .06 .03 .03 .04 .04 .04 .04
0
.04 .05 .04 .05 .04 .02 .04 .03 .02 .06
[1] 5u3x.a .07 .07 .06 .06 .10 .11 .09 .08 .08 .09 .08 .04 .07 .09 .07 .10 .06 .08 .12 .05 .05 .03 .05 .05 .03 .05 .04
0
.01 .02 .02 .04 .04 .04 .04 .04 .06
[1] 5u3y.a .08 .07 .06 .07 .10 .12 .10 .09 .08 .09 .09 .04 .06 .08 .07 .09 .07 .08 .11 .06 .06 .02 .06 .05 .03 .05 .05 .01
0
.02 .03 .04 .05 .04 .05 .04 .07
[1] 5u3z.a .08 .07 .07 .06 .10 .10 .09 .08 .07 .10 .09 .05 .08 .10 .07 .09 .06 .08 .13 .05 .04 .03 .04 .04 .04 .05 .04 .02 .02
0
.04 .05 .04 .04 .03 .03 .06
[1] 5u40.b .08 .07 .08 .08 .10 .11 .10 .08 .08 .09 .08 .05 .08 .08 .07 .09 .08 .08 .11 .06 .07 .05 .07 .07 .04 .05 .05 .02 .03 .04
0
.03 .05 .06 .06 .05 .06
[1] 5u41.b .09 .08 .08 .07 .11 .12 .09 .07 .06 .10 .08 .07 .08 .08 .08 .09 .08 .09 .12 .06 .06 .06 .07 .06 .04 .05 .04 .04 .04 .05 .03
0
.05 .05 .05 .05 .07
[1] 5u42.a .07 .06 .09 .08 .11 .10 .07 .07 .05 .10 .09 .05 .08 .09 .06 .09 .07 .06 .13 .05 .04 .03 .05 .05 .03 .02 .02 .04 .05 .04 .05 .05
0
.03 .04 .02 .06
[1] 5u43.b .09 .07 .07 .06 .09 .11 .09 .07 .07 .10 .09 .05 .07 .10 .07 .09 .06 .07 .13 .05 .04 .04 .05 .05 .05 .04 .04 .04 .04 .04 .06 .05 .03
0
.04 .03 .05
[1] 5u44.b .08 .07 .08 .07 .11 .08 .09 .10 .07 .10 .09 .05 .09 .10 .07 .10 .07 .07 .14 .06 .04 .04 .05 .04 .05 .05 .03 .04 .05 .03 .06 .05 .04 .04
0
.03 .06
[1] 5u45.b .07 .06 .09 .08 .10 .11 .09 .08 .06 .10 .09 .05 .08 .09 .07 .09 .08 .07 .13 .06 .04 .02 .05 .04 .04 .03 .02 .04 .04 .03 .05 .05 .02 .03 .03
0
.06
[1] 5u46.a .09 .10 .08 .07 .06 .08 .10 .09 .08 .09 .06 .07 .07 .11 .08 .07 .07 .06 .12 .03 .07 .07 .06 .07 .07 .07 .06 .06 .07 .06 .06 .07 .06 .05 .06 .06
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.0 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
1gwx.a
1y0s.a
2awh.a
2gwx.b
2j14.b
2q5g.a
2xyj.a
2xyw.a
2xyx.a
2znp.b
2znq.a
3d5f.a
3dy6.a
3et2.a
3gwx.a
3gz9.a
3oz0.a
3peq.a
3sp9.a
3tkm.a
5u3q.a
5u3r.a
5u3s.b
5u3t.b
5u3u.a
5u3v.a
5u3w.a
5u3x.a
5u3y.a
5u3z.a
5u40.b
5u41.b
5u42.a
5u43.b
5u44.b
5u45.b
5u46.a
[1] 1gwx.a
0
0.8 0.9 0.6 0.8 3.8 1.0 0.8 0.9 0.9 1.0 0.8 0.8 0.9 0.4 1.1 1.5 0.8 1.1 0.7 0.8 0.8 0.7 0.7 0.8 0.7 0.7 0.8 0.8 0.7 0.9 0.8 0.7 0.7 0.4 0.7 0.8
[1] 1y0s.a 0.8
0
0.7 0.9 0.8 3.6 1.1 0.9 1.0 0.5 0.7 0.4 0.5 0.5 0.8 0.9 1.6 0.5 0.8 0.9 0.9 0.3 0.9 0.9 0.4 0.9 0.8 0.4 0.4 0.8 0.5 0.9 0.8 0.9 0.3 0.8 0.9
[1] 2awh.a 0.9 0.7
0
0.7 0.7 3.8 1.0 0.9 0.9 0.6 0.5 0.5 0.5 0.6 0.7 0.8 1.6 0.6 0.6 0.9 0.7 0.6 0.7 0.7 0.6 0.8 0.8 0.5 0.6 0.8 0.7 0.9 0.8 0.8 0.6 0.8 0.8
[1] 2gwx.b 0.6 0.9 0.7
0
0.8 3.8 0.9 0.9 0.9 0.9 0.8 0.8 0.7 0.8 0.6 1.1 1.4 0.8 1.0 0.9 0.7 0.8 0.7 0.7 0.8 0.7 0.8 0.8 0.8 0.8 0.9 0.9 0.8 0.7 0.5 0.8 0.9
[1] 2j14.b 0.8 0.8 0.7 0.8
0
3.2 1.0 1.0 0.9 0.8 0.8 0.6 0.8 0.9 0.8 0.5 0.6 0.8 0.8 0.7 0.8 0.7 0.7 0.7 0.8 0.8 0.8 0.7 0.7 0.7 0.7 0.7 0.8 0.7 0.7 0.7 0.6
[1] 2q5g.a 3.8 3.6 3.8 3.8 3.2
0
4.1 4.1 4.2 3.6 3.8 3.6 3.7 3.7 3.9 3.7 3.5 3.6 3.7 3.8 4.0 3.6 4.0 4.0 3.6 4.0 4.0 3.6 3.6 3.9 3.6 4.0 3.9 4.0 3.2 3.9 3.9
[1] 2xyj.a 1.0 1.1 1.0 0.9 1.0 4.1
0
0.6 0.5 1.1 1.0 1.1 1.0 1.1 0.8 1.2 2.0 1.0 1.3 0.8 0.6 1.1 0.7 0.6 1.1 0.7 0.7 1.1 1.1 0.8 1.1 0.8 0.7 0.6 0.8 0.7 0.8
[1] 2xyw.a 0.8 0.9 0.9 0.9 1.0 4.1 0.6
0
0.3 1.0 0.9 0.9 0.8 0.8 0.7 1.1 2.0 0.8 1.2 0.7 0.6 0.9 0.6 0.6 0.9 0.5 0.5 0.9 0.9 0.6 0.9 0.7 0.6 0.6 0.7 0.6 0.8
[1] 2xyx.a 0.9 1.0 0.9 0.9 0.9 4.2 0.5 0.3
0
1.0 0.9 0.9 0.9 0.9 0.7 1.1 2.0 0.9 1.2 0.7 0.5 1.0 0.6 0.5 1.0 0.5 0.5 1.0 1.0 0.6 1.0 0.7 0.5 0.5 0.6 0.6 0.7
[1] 2znp.b 0.9 0.5 0.6 0.9 0.8 3.6 1.1 1.0 1.0
0
0.5 0.5 0.5 0.6 0.8 0.9 1.7 0.6 0.8 0.9 0.9 0.5 0.9 0.9 0.5 0.9 0.9 0.5 0.5 0.9 0.6 0.9 0.9 0.9 0.5 0.9 0.9
[1] 2znq.a 1.0 0.7 0.5 0.8 0.8 3.8 1.0 0.9 0.9 0.5
0
0.5 0.5 0.6 0.9 1.0 1.6 0.7 0.8 1.0 0.8 0.6 0.9 0.8 0.6 0.9 0.9 0.6 0.6 0.9 0.7 1.1 0.9 0.9 0.6 0.9 1.0
[1] 3d5f.a 0.8 0.4 0.5 0.8 0.6 3.6 1.1 0.9 0.9 0.5 0.5
0
0.5 0.6 0.7 0.8 1.6 0.5 0.7 0.8 0.8 0.4 0.8 0.8 0.4 0.8 0.8 0.3 0.3 0.8 0.4 0.8 0.8 0.8 0.3 0.8 0.8
[1] 3dy6.a 0.8 0.5 0.5 0.7 0.8 3.7 1.0 0.8 0.9 0.5 0.5 0.5
0
0.4 0.8 1.0 1.6 0.6 0.7 0.9 0.8 0.4 0.8 0.8 0.4 0.8 0.8 0.4 0.5 0.9 0.6 1.0 0.8 0.8 0.5 0.8 0.9
[1] 3et2.a 0.9 0.5 0.6 0.8 0.9 3.7 1.1 0.8 0.9 0.6 0.6 0.6 0.4
0
0.8 1.1 1.6 0.6 0.9 1.0 0.9 0.5 0.9 0.9 0.4 0.9 0.9 0.5 0.5 0.9 0.6 1.0 0.9 0.9 0.5 0.9 1.1
[1] 3gwx.a 0.4 0.8 0.7 0.6 0.8 3.9 0.8 0.7 0.7 0.8 0.9 0.7 0.8 0.8
0
0.9 1.6 0.7 1.0 0.6 0.5 0.7 0.5 0.5 0.8 0.5 0.5 0.7 0.7 0.5 0.8 0.6 0.4 0.5 0.3 0.4 0.6
[1] 3gz9.a 1.1 0.9 0.8 1.1 0.5 3.7 1.2 1.1 1.1 0.9 1.0 0.8 1.0 1.1 0.9
0
1.8 0.9 1.0 1.0 1.0 0.9 0.9 0.9 1.0 1.0 0.9 0.9 0.9 0.9 0.9 0.9 0.9 0.9 0.8 0.9 0.8
[1] 3oz0.a 1.5 1.6 1.6 1.4 0.6 3.5 2.0 2.0 2.0 1.7 1.6 1.6 1.6 1.6 1.6 1.8
0
1.6 1.7 1.9 1.9 1.5 1.9 1.9 1.6 1.9 1.9 1.6 1.6 1.9 1.6 1.9 1.9 1.9 0.6 1.9 1.9
[1] 3peq.a 0.8 0.5 0.6 0.8 0.8 3.6 1.0 0.8 0.9 0.6 0.7 0.5 0.6 0.6 0.7 0.9 1.6
0
0.9 0.8 0.8 0.5 0.8 0.8 0.5 0.8 0.7 0.5 0.5 0.8 0.6 0.8 0.7 0.8 0.4 0.7 0.9
[1] 3sp9.a 1.1 0.8 0.6 1.0 0.8 3.7 1.3 1.2 1.2 0.8 0.8 0.7 0.7 0.9 1.0 1.0 1.7 0.9
0
1.1 1.0 0.7 1.0 1.0 0.7 1.0 1.1 0.7 0.7 1.0 0.8 1.1 1.1 1.0 0.8 1.1 1.1
[1] 3tkm.a 0.7 0.9 0.9 0.9 0.7 3.8 0.8 0.7 0.7 0.9 1.0 0.8 0.9 1.0 0.6 1.0 1.9 0.8 1.1
0
0.6 0.9 0.5 0.5 0.9 0.5 0.5 0.9 0.9 0.4 0.9 0.6 0.5 0.5 0.4 0.5 0.4
[1] 5u3q.a 0.8 0.9 0.7 0.7 0.8 4.0 0.6 0.6 0.5 0.9 0.8 0.8 0.8 0.9 0.5 1.0 1.9 0.8 1.0 0.6
0
0.9 0.2 0.1 0.9 0.3 0.4 0.9 0.9 0.4 0.9 0.6 0.4 0.2 0.5 0.4 0.5
[1] 5u3r.a 0.8 0.3 0.6 0.8 0.7 3.6 1.1 0.9 1.0 0.5 0.6 0.4 0.4 0.5 0.7 0.9 1.5 0.5 0.7 0.9 0.9
0
0.8 0.9 0.2 0.8 0.8 0.3 0.2 0.8 0.4 0.9 0.8 0.9 0.2 0.8 0.9
[1] 5u3s.b 0.7 0.9 0.7 0.7 0.7 4.0 0.7 0.6 0.6 0.9 0.9 0.8 0.8 0.9 0.5 0.9 1.9 0.8 1.0 0.5 0.2 0.8
0
0.1 0.8 0.2 0.3 0.8 0.8 0.3 0.8 0.5 0.3 0.2 0.4 0.3 0.4
[1] 5u3t.b 0.7 0.9 0.7 0.7 0.7 4.0 0.6 0.6 0.5 0.9 0.8 0.8 0.8 0.9 0.5 0.9 1.9 0.8 1.0 0.5 0.1 0.9 0.1
0
0.8 0.2 0.3 0.8 0.9 0.4 0.9 0.5 0.3 0.2 0.4 0.3 0.5
[1] 5u3u.a 0.8 0.4 0.6 0.8 0.8 3.6 1.1 0.9 1.0 0.5 0.6 0.4 0.4 0.4 0.8 1.0 1.6 0.5 0.7 0.9 0.9 0.2 0.8 0.8
0
0.8 0.8 0.3 0.3 0.8 0.5 0.9 0.8 0.9 0.3 0.8 0.9
[1] 5u3v.a 0.7 0.9 0.8 0.7 0.8 4.0 0.7 0.5 0.5 0.9 0.9 0.8 0.8 0.9 0.5 1.0 1.9 0.8 1.0 0.5 0.3 0.8 0.2 0.2 0.8
0
0.3 0.8 0.8 0.4 0.8 0.5 0.3 0.2 0.4 0.3 0.5
[1] 5u3w.a 0.7 0.8 0.8 0.8 0.8 4.0 0.7 0.5 0.5 0.9 0.9 0.8 0.8 0.9 0.5 0.9 1.9 0.7 1.1 0.5 0.4 0.8 0.3 0.3 0.8 0.3
0
0.8 0.8 0.3 0.8 0.4 0.1 0.3 0.3 0.2 0.5
[1] 5u3x.a 0.8 0.4 0.5 0.8 0.7 3.6 1.1 0.9 1.0 0.5 0.6 0.3 0.4 0.5 0.7 0.9 1.6 0.5 0.7 0.9 0.9 0.3 0.8 0.8 0.3 0.8 0.8
0
0.2 0.8 0.4 0.8 0.8 0.8 0.2 0.8 0.9
[1] 5u3y.a 0.8 0.4 0.6 0.8 0.7 3.6 1.1 0.9 1.0 0.5 0.6 0.3 0.5 0.5 0.7 0.9 1.6 0.5 0.7 0.9 0.9 0.2 0.8 0.9 0.3 0.8 0.8 0.2
0
0.8 0.3 0.8 0.8 0.9 0.2 0.8 0.9
[1] 5u3z.a 0.7 0.8 0.8 0.8 0.7 3.9 0.8 0.6 0.6 0.9 0.9 0.8 0.9 0.9 0.5 0.9 1.9 0.8 1.0 0.4 0.4 0.8 0.3 0.4 0.8 0.4 0.3 0.8 0.8
0
0.7 0.3 0.2 0.3 0.2 0.2 0.5
[1] 5u40.b 0.9 0.5 0.7 0.9 0.7 3.6 1.1 0.9 1.0 0.6 0.7 0.4 0.6 0.6 0.8 0.9 1.6 0.6 0.8 0.9 0.9 0.4 0.8 0.9 0.5 0.8 0.8 0.4 0.3 0.7
0
0.7 0.8 0.8 0.3 0.8 0.9
[1] 5u41.b 0.8 0.9 0.9 0.9 0.7 4.0 0.8 0.7 0.7 0.9 1.1 0.8 1.0 1.0 0.6 0.9 1.9 0.8 1.1 0.6 0.6 0.9 0.5 0.5 0.9 0.5 0.4 0.8 0.8 0.3 0.7
0
0.4 0.5 0.3 0.3 0.6
[1] 5u42.a 0.7 0.8 0.8 0.8 0.8 3.9 0.7 0.6 0.5 0.9 0.9 0.8 0.8 0.9 0.4 0.9 1.9 0.7 1.1 0.5 0.4 0.8 0.3 0.3 0.8 0.3 0.1 0.8 0.8 0.2 0.8 0.4
0
0.3 0.2 0.1 0.5
[1] 5u43.b 0.7 0.9 0.8 0.7 0.7 4.0 0.6 0.6 0.5 0.9 0.9 0.8 0.8 0.9 0.5 0.9 1.9 0.8 1.0 0.5 0.2 0.9 0.2 0.2 0.9 0.2 0.3 0.8 0.9 0.3 0.8 0.5 0.3
0
0.4 0.3 0.5
[1] 5u44.b 0.4 0.3 0.6 0.5 0.7 3.2 0.8 0.7 0.6 0.5 0.6 0.3 0.5 0.5 0.3 0.8 0.6 0.4 0.8 0.4 0.5 0.2 0.4 0.4 0.3 0.4 0.3 0.2 0.2 0.2 0.3 0.3 0.2 0.4
0
0.2 0.5
[1] 5u45.b 0.7 0.8 0.8 0.8 0.7 3.9 0.7 0.6 0.6 0.9 0.9 0.8 0.8 0.9 0.4 0.9 1.9 0.7 1.1 0.5 0.4 0.8 0.3 0.3 0.8 0.3 0.2 0.8 0.8 0.2 0.8 0.3 0.1 0.3 0.2
0
0.5
[1] 5u46.a 0.8 0.9 0.8 0.9 0.6 3.9 0.8 0.8 0.7 0.9 1.0 0.8 0.9 1.1 0.6 0.8 1.9 0.9 1.1 0.4 0.5 0.9 0.4 0.5 0.9 0.5 0.5 0.9 0.9 0.5 0.9 0.6 0.5 0.5 0.5 0.5
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.8 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
1gwx.a
1y0s.a
2awh.a
2gwx.b
2j14.b
2q5g.a
2xyj.a
2xyw.a
2xyx.a
2znp.b
2znq.a
3d5f.a
3dy6.a
3et2.a
3gwx.a
3gz9.a
3oz0.a
3peq.a
3sp9.a
3tkm.a
5u3q.a
5u3r.a
5u3s.b
5u3t.b
5u3u.a
5u3v.a
5u3w.a
5u3x.a
5u3y.a
5u3z.a
5u40.b
5u41.b
5u42.a
5u43.b
5u44.b
5u45.b
5u46.a
[1] 1gwx.a
0
0.9 1.1 1.0 1.2 5.1 1.2 1.1 1.1 1.1 1.1 1.0 1.0 1.1 0.5 1.2 2.1 1.1 1.4 1.1 1.1 1.1 1.2 1.1 1.1 1.0 1.1 1.1 1.1 1.0 1.2 1.2 1.1 1.0 0.9 1.1 1.0
[1] 1y0s.a 0.9
0
1.0 1.1 1.1 5.0 1.2 1.1 1.1 0.8 1.0 0.8 0.8 0.9 1.0 1.2 2.1 0.9 1.3 1.0 1.1 0.8 1.2 1.1 0.8 1.1 1.0 0.8 0.8 0.9 0.9 1.2 1.0 1.0 0.7 1.0 1.0
[1] 2awh.a 1.1 1.0
0
1.0 1.0 5.2 1.1 1.2 1.1 0.9 0.7 0.7 0.8 1.0 1.0 1.1 2.1 1.0 1.1 1.1 1.0 1.0 1.1 1.0 0.9 1.0 1.1 0.9 0.8 1.0 1.0 1.2 1.1 0.9 0.9 1.1 0.9
[1] 2gwx.b 1.0 1.1 1.0
0
1.2 5.1 1.2 1.2 1.1 1.1 1.0 1.1 0.9 1.0 1.0 1.3 2.0 1.0 1.3 1.1 1.0 1.0 1.1 1.0 0.9 0.9 0.9 1.0 1.0 1.0 1.1 1.2 0.9 1.0 0.8 0.9 1.0
[1] 2j14.b 1.2 1.1 1.0 1.2
0
4.1 1.3 1.3 1.2 1.1 1.1 0.9 1.1 1.3 1.2 0.8 1.3 1.2 1.3 1.1 1.2 1.2 1.2 1.2 1.2 1.1 1.2 1.1 1.1 1.0 1.0 1.0 1.1 1.1 1.1 1.1 1.0
[1] 2q5g.a 5.1 5.0 5.2 5.1 4.1
0
5.2 5.2 5.3 5.0 5.1 5.1 5.1 5.1 5.1 5.2 4.8 5.1 5.1 5.0 5.1 5.0 5.1 5.1 5.0 5.1 5.1 5.0 5.0 5.1 5.1 5.2 5.1 5.1 4.0 5.1 5.1
[1] 2xyj.a 1.2 1.2 1.1 1.2 1.3 5.2
0
0.9 0.7 1.2 1.1 1.2 1.1 1.1 1.1 1.4 2.4 1.2 1.5 1.1 0.9 1.3 1.1 1.0 1.2 0.9 1.0 1.2 1.2 1.0 1.3 1.2 1.0 0.9 1.0 1.0 1.0
[1] 2xyw.a 1.1 1.1 1.2 1.2 1.3 5.2 0.9
0
0.6 1.2 1.2 1.2 1.0 0.9 1.1 1.4 2.3 1.1 1.4 1.0 0.9 1.2 1.1 1.1 1.1 0.8 0.9 1.1 1.2 0.9 1.2 1.1 0.9 0.9 1.0 0.9 1.0
[1] 2xyx.a 1.1 1.1 1.1 1.1 1.2 5.3 0.7 0.6
0
1.1 1.1 1.1 0.9 0.9 1.0 1.3 2.3 1.0 1.4 0.9 0.8 1.2 1.0 0.9 1.1 0.8 0.8 1.1 1.1 0.8 1.2 1.0 0.8 0.8 0.9 0.8 0.9
[1] 2znp.b 1.1 0.8 0.9 1.1 1.1 5.0 1.2 1.2 1.1
0
0.8 0.8 0.7 1.0 0.9 1.1 2.1 0.9 1.2 1.0 1.1 0.9 1.1 1.1 0.8 1.0 1.1 0.8 0.8 1.0 0.9 1.1 1.0 1.0 0.8 1.0 1.0
[1] 2znq.a 1.1 1.0 0.7 1.0 1.1 5.1 1.1 1.2 1.1 0.8
0
0.8 0.8 1.0 1.0 1.2 2.1 1.0 1.2 1.1 1.0 1.0 1.1 1.0 0.9 1.0 1.1 0.9 0.9 1.0 1.0 1.2 1.1 1.0 0.9 1.1 1.0
[1] 3d5f.a 1.0 0.8 0.7 1.1 0.9 5.1 1.2 1.2 1.1 0.8 0.8
0
0.8 1.0 0.9 0.9 2.1 0.9 1.2 1.0 1.0 0.8 1.1 1.0 0.8 0.9 1.0 0.7 0.7 0.9 0.8 1.0 1.0 0.9 0.7 1.0 0.9
[1] 3dy6.a 1.0 0.8 0.8 0.9 1.1 5.1 1.1 1.0 0.9 0.7 0.8 0.8
0
0.7 0.9 1.1 2.1 0.8 1.0 0.9 1.0 0.7 0.9 0.9 0.7 0.9 0.9 0.7 0.6 0.9 0.9 1.1 0.9 0.9 0.7 0.9 0.9
[1] 3et2.a 1.1 0.9 1.0 1.0 1.3 5.1 1.1 0.9 0.9 1.0 1.0 1.0 0.7
0
1.1 1.3 2.1 0.8 1.3 1.1 1.1 0.9 1.1 1.2 0.8 1.0 1.0 0.9 0.9 1.1 1.1 1.3 1.0 1.1 0.9 1.0 1.1
[1] 3gwx.a 0.5 1.0 1.0 1.0 1.2 5.1 1.1 1.1 1.0 0.9 1.0 0.9 0.9 1.1
0
1.2 2.2 1.0 1.3 1.0 1.0 1.1 1.1 1.0 1.0 0.9 1.0 1.0 1.0 0.9 1.1 1.1 1.0 0.9 0.8 1.0 0.9
[1] 3gz9.a 1.2 1.2 1.1 1.3 0.8 5.2 1.4 1.4 1.3 1.1 1.2 0.9 1.1 1.3 1.2
0
2.4 1.2 1.3 1.1 1.2 1.2 1.3 1.2 1.2 1.2 1.2 1.1 1.1 1.1 1.1 1.2 1.2 1.2 1.0 1.2 1.0
[1] 3oz0.a 2.1 2.1 2.1 2.0 1.3 4.8 2.4 2.3 2.3 2.1 2.1 2.1 2.1 2.1 2.2 2.4
0
2.1 2.2 2.2 2.2 2.1 2.2 2.2 2.1 2.2 2.2 2.1 2.0 2.2 2.1 2.2 2.2 2.2 1.2 2.2 2.2
[1] 3peq.a 1.1 0.9 1.0 1.0 1.2 5.1 1.2 1.1 1.0 0.9 1.0 0.9 0.8 0.8 1.0 1.2 2.1
0
1.3 1.0 1.0 0.9 1.0 1.1 0.8 0.9 0.9 0.8 0.8 0.9 1.0 1.1 0.9 1.0 0.8 0.9 1.0
[1] 3sp9.a 1.4 1.3 1.1 1.3 1.3 5.1 1.5 1.4 1.4 1.2 1.2 1.2 1.0 1.3 1.3 1.3 2.2 1.3
0
1.3 1.2 1.1 1.2 1.2 1.1 1.2 1.3 1.2 1.2 1.3 1.3 1.5 1.3 1.3 1.2 1.3 1.2
[1] 3tkm.a 1.1 1.0 1.1 1.1 1.1 5.0 1.1 1.0 0.9 1.0 1.1 1.0 0.9 1.1 1.0 1.1 2.2 1.0 1.3
0
0.8 1.1 0.9 0.8 1.0 0.7 0.8 1.0 1.0 0.6 1.1 0.9 0.7 0.7 0.7 0.8 0.6
[1] 5u3q.a 1.1 1.1 1.0 1.0 1.2 5.1 0.9 0.9 0.8 1.1 1.0 1.0 1.0 1.1 1.0 1.2 2.2 1.0 1.2 0.8
0
1.0 0.6 0.6 0.9 0.4 0.6 1.0 1.0 0.7 1.1 1.0 0.6 0.5 0.8 0.6 0.7
[1] 5u3r.a 1.1 0.8 1.0 1.0 1.2 5.0 1.3 1.2 1.2 0.9 1.0 0.8 0.7 0.9 1.1 1.2 2.1 0.9 1.1 1.1 1.0
0
0.9 0.8 0.6 1.0 0.9 0.6 0.6 0.8 0.8 1.1 0.9 1.0 0.6 0.9 1.0
[1] 5u3s.b 1.2 1.2 1.1 1.1 1.2 5.1 1.1 1.1 1.0 1.1 1.1 1.1 0.9 1.1 1.1 1.3 2.2 1.0 1.2 0.9 0.6 0.9
0
0.5 0.9 0.6 0.7 1.1 1.0 0.8 1.2 1.0 0.7 0.7 0.8 0.7 0.8
[1] 5u3t.b 1.1 1.1 1.0 1.0 1.2 5.1 1.0 1.1 0.9 1.1 1.0 1.0 0.9 1.2 1.0 1.2 2.2 1.1 1.2 0.8 0.6 0.8 0.5
0
1.0 0.7 0.8 1.0 0.9 0.6 1.1 0.9 0.7 0.6 0.7 0.7 0.7
[1] 5u3u.a 1.1 0.8 0.9 0.9 1.2 5.0 1.2 1.1 1.1 0.8 0.9 0.8 0.7 0.8 1.0 1.2 2.1 0.8 1.1 1.0 0.9 0.6 0.9 1.0
0
0.8 0.7 0.7 0.7 0.8 0.8 1.1 0.7 0.9 0.6 0.7 1.0
[1] 5u3v.a 1.0 1.1 1.0 0.9 1.1 5.1 0.9 0.8 0.8 1.0 1.0 0.9 0.9 1.0 0.9 1.2 2.2 0.9 1.2 0.7 0.4 1.0 0.6 0.7 0.8
0
0.5 0.9 0.9 0.6 1.0 0.9 0.4 0.6 0.7 0.5 0.7
[1] 5u3w.a 1.1 1.0 1.1 0.9 1.2 5.1 1.0 0.9 0.8 1.1 1.1 1.0 0.9 1.0 1.0 1.2 2.2 0.9 1.3 0.8 0.6 0.9 0.7 0.8 0.7 0.5
0
0.9 0.9 0.5 1.0 0.8 0.3 0.6 0.5 0.3 0.8
[1] 5u3x.a 1.1 0.8 0.9 1.0 1.1 5.0 1.2 1.1 1.1 0.8 0.9 0.7 0.7 0.9 1.0 1.1 2.1 0.8 1.2 1.0 1.0 0.6 1.1 1.0 0.7 0.9 0.9
0
0.5 0.8 0.8 1.0 0.8 0.9 0.5 0.9 1.0
[1] 5u3y.a 1.1 0.8 0.8 1.0 1.1 5.0 1.2 1.2 1.1 0.8 0.9 0.7 0.6 0.9 1.0 1.1 2.0 0.8 1.2 1.0 1.0 0.6 1.0 0.9 0.7 0.9 0.9 0.5
0
0.8 0.7 1.0 0.9 0.8 0.5 0.9 0.9
[1] 5u3z.a 1.0 0.9 1.0 1.0 1.0 5.1 1.0 0.9 0.8 1.0 1.0 0.9 0.9 1.1 0.9 1.1 2.2 0.9 1.3 0.6 0.7 0.8 0.8 0.6 0.8 0.6 0.5 0.8 0.8
0
0.9 0.7 0.4 0.5 0.3 0.4 0.6
[1] 5u40.b 1.2 0.9 1.0 1.1 1.0 5.1 1.3 1.2 1.2 0.9 1.0 0.8 0.9 1.1 1.1 1.1 2.1 1.0 1.3 1.1 1.1 0.8 1.2 1.1 0.8 1.0 1.0 0.8 0.7 0.9
0
0.7 1.0 1.0 0.7 0.9 1.1
[1] 5u41.b 1.2 1.2 1.2 1.2 1.0 5.2 1.2 1.1 1.0 1.1 1.2 1.0 1.1 1.3 1.1 1.2 2.2 1.1 1.5 0.9 1.0 1.1 1.0 0.9 1.1 0.9 0.8 1.0 1.0 0.7 0.7
0
0.8 0.8 0.7 0.7 0.9
[1] 5u42.a 1.1 1.0 1.1 0.9 1.1 5.1 1.0 0.9 0.8 1.0 1.1 1.0 0.9 1.0 1.0 1.2 2.2 0.9 1.3 0.7 0.6 0.9 0.7 0.7 0.7 0.4 0.3 0.8 0.9 0.4 1.0 0.8
0
0.6 0.5 0.3 0.7
[1] 5u43.b 1.0 1.0 0.9 1.0 1.1 5.1 0.9 0.9 0.8 1.0 1.0 0.9 0.9 1.1 0.9 1.2 2.2 1.0 1.3 0.7 0.5 1.0 0.7 0.6 0.9 0.6 0.6 0.9 0.8 0.5 1.0 0.8 0.6
0
0.6 0.6 0.6
[1] 5u44.b 0.9 0.7 0.9 0.8 1.1 4.0 1.0 1.0 0.9 0.8 0.9 0.7 0.7 0.9 0.8 1.0 1.2 0.8 1.2 0.7 0.8 0.6 0.8 0.7 0.6 0.7 0.5 0.5 0.5 0.3 0.7 0.7 0.5 0.6
0
0.4 0.7
[1] 5u45.b 1.1 1.0 1.1 0.9 1.1 5.1 1.0 0.9 0.8 1.0 1.1 1.0 0.9 1.0 1.0 1.2 2.2 0.9 1.3 0.8 0.6 0.9 0.7 0.7 0.7 0.5 0.3 0.9 0.9 0.4 0.9 0.7 0.3 0.6 0.4
0
0.7
[1] 5u46.a 1.0 1.0 0.9 1.0 1.0 5.1 1.0 1.0 0.9 1.0 1.0 0.9 0.9 1.1 0.9 1.0 2.2 1.0 1.2 0.6 0.7 1.0 0.8 0.7 1.0 0.7 0.8 1.0 0.9 0.6 1.1 0.9 0.7 0.6 0.7 0.7
0
[Binding site full-atom RMSD matrix]







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