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CBPA1_BOVIN_111_418

Carboxypeptidase A1 [Peptidase M14 family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CBPA1_BOVIN):R: Substrate binding (179, 181, 182)
R: Substrate binding (254, 255)
R: Substrate binding (307, 308)
39, 43, 52:58, 61:65, 237, 273, 274, 306, 309, 313, 353, 357, 358, 360, 361, 363:366, 378, 380, 389
39, 43, 52:58, 61:65, 179, 181, 182, 237, 254, 255, 273, 274, 306:309, 313, 353, 357, 358, 360, 361, 363:366, 378, 380, 389
Metals (Me):Hg/Zn

Full PDB list

1arl, 1arm, 1bav, 1cbx, 1cps, 1cpx, 1ee3, 1ell, 1elm, 1f57, 1hdq, 1hdu, 1hee, 1iy7, 1m4l, 1pyt, 1yme, 1zlh, 2abz, 2ctb, 2ctc, 2rfh, 3cpa, 3fvl, 3fx6, 3hlp, 3huv, 3i1u, 3kgq, 4cpa, 5cpa, 6cpa, 7cpa, 8cpa (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
H
1
7
9
R
1
8
1
E
1
8
2
R
2
3
7
N
2
5
4
R
2
5
5
E
2
7
3
T
2
7
4
H
3
0
6
S
3
0
7
Y
3
0
8
S
3
0
9
L
3
1
3
I
3
5
3
I
3
5
7
Y
3
5
8
A
3
6
0
S
3
6
1
G
3
6
3
D
3
6
6
T
3
7
8
E
3
8
0
F
3
8
9
[1]1arm.a cu1 . . . . . . . . . . . . . . . . . . . . . . . Hg
[1]1bav.b bip12 . . . . . . . . . . . . . . . . . . . . . * . Zn
[1]1cbx.a bzs15 . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1cps.a cpm16 . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1cpx.a zn1 . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1f57.a dcy7 . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1hdq.a inf16 . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1hdu.a ing15 . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1hee.a lhy16 . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1iy7.a cxa16 . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1zlh.a K-CVWL44 . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2abz.a Q-IPYV43 . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2ctc.a hfa12 . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2rfh.a 23n15 . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3cpa.a GY17 . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3fvl.a bhk16 . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3fx6.a bpx19 . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3hlp.a mrd,mrd16 . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3hlp.b mrd8 . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3i1u.a btw14 . . . . . . . . . . . . . . . . . . . . . * . Zn
[1]4cpa.a G,W-PYV46 . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]6cpa.a zaf33 . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]7cpa.a fvf41 . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]8cpa.a agf32 . . . . . . . . . . . . . . . . . . . . . . . Zn
[2]1pyt.a none . . . . . . . . . . . . . . . . . . . . . . . Zn

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 Me
V
3
9
E
4
3
F
5
2
W
5
3
R
5
4
G
5
5
P
5
6
G
5
7
Q
5
8
S
6
1
P
6
2
I
6
3
D
6
4
V
6
5
H
1
7
9
R
1
8
1
E
1
8
2
R
2
3
7
N
2
5
4
R
2
5
5
E
2
7
3
T
2
7
4
H
3
0
6
S
3
0
7
Y
3
0
8
S
3
0
9
L
3
1
3
I
3
5
3
I
3
5
7
Y
3
5
8
A
3
6
0
S
3
6
1
G
3
6
3
S
3
6
4
I
3
6
5
D
3
6
6
T
3
7
8
E
3
8
0
F
3
8
9
[1]1arm.a - - - - - - - - - - - - - - . * . . . . . . . . . . . . . . . . . . . . . . . Hg
[1]1bav.b - - - - - - - - - - - - - - . . . . . * . . . . . . . . . * . . . . . . . * . Zn
[1]1cbx.a - - - - - - - - - - - - - - . . . . . . . . . . . . . . . * . . . . . . . . . Zn
[1]1cps.a - - - - - - - - - - - - - - . * . . . * . . . . . . . . . . . . . . . . . . . Zn
[1]1cpx.a - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . * . Zn
[1]1f57.a - - - - - - - - - - - - - - . . . . . * . . . . . . . . . . . . . . . . . . . Zn
[1]1hdq.a - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1hdu.a - - - - - - - - - - - - - - . . . . . * . . . . . . . . . . . . . . . . . . . Zn
[1]1hee.a - - - - - - - - - - - - - - . . . . . * . . . . . . . . . . . . . . . . . . . Zn
[1]1iy7.a - - - - - - - - - - - - - - . * . . . . . . . . . . . . . * . . . . . . . . . Zn
[1]1zlh.a - - - - - - - - - - - - - - . . . . . . . . . . . . . . . * . . . . . . . . . Zn
[1]2abz.a - - - - - - - - - - - - - - . . . . . . . . . . . . . . . * . . . . . . . . . Zn
[1]2ctc.a - - - - - - - - - - - - - - . . . . . . . . . . . . . . . * . . . . . . . . . Zn
[1]2rfh.a - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . * . Zn
[1]3cpa.a - - - - - - - - - - - - - - . . . . . * . . . . . . . . . * . . . . . . . . . Zn
[1]3fvl.a - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . * . Zn
[1]3fx6.a - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . * . Zn
[1]3hlp.a - - - - - - - - - - - - - - . . . . . . . . . . . . . . . * . . . . . . . * . Zn
[1]3hlp.b - - - - - - - - - - - - - - . . . . . . . . . . . . . . . * . . . . . . . * . Zn
[1]3i1u.a - - - - - - - - - - - - - - . . . . . . . . . . . . . . . * . . . . . . . * . Zn
[1]4cpa.a - - - - - - - - - - - - - - . . . . . . . . . . . . . . . * . . . . . . . . . Zn
[1]6cpa.a - - - - - - - - - - - - - - . . . . . * * . . . . . . . . * . . . . . . . . . Zn
[1]7cpa.a - - - - - - - - - - - - - - . . . . . * . . . . . . . . . * . . . . . . . . . Zn
[1]8cpa.a - - - - - - - - - - - - - - . . . . . * . . . . . . . . . * . . . . . . . . . Zn
[2]1pyt.a . . * * * * * . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . * . Zn

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
1arm.a:cu
1bav.b:bip
1cbx.a:bzs
1cps.a:cpm
1cpx.a:zn
1f57.a:dcy
1hdq.a:inf
1hdu.a:ing
1hee.a:lhy
1iy7.a:cxa
1zlh.a:K-CVWL
2abz.a:Q-IPYV
2ctc.a:hfa
2rfh.a:23n
3cpa.a:GY
3fvl.a:bhk
3fx6.a:bpx
3hlp.a:mrd
3hlp.b:mrd
3i1u.a:btw
4cpa.a:G,W-PYV
6cpa.a:zaf
7cpa.a:fvf
8cpa.a:agf
1pyt.a is apo
[1] 1arm.a
0
0.4 0.1 0 0.1 0.1 0.1 0.1 0.1 0 0.4 0.2 0.1 0.1 0.4 0.3 0.9 0.4 0.4 0.5 0.3 0.6 0.7 0.9 -
[1] 1bav.b 0
0.9
0.3 0.5 0.2 0.3 1.1 0.1 0.1 0.3 0 0.1 0.2 0.7 1.1 1.1 0.6 1.3 1.2 1.0 0.4 0.6 0.3 0.9 -
[1] 1cbx.a 0 0.4
0.1
0.2 0 0.1 1.1 0 0 0.3 0.1 0 0 0.6 0.4 1.3 1.1 0.9 0.7 0.5 0.1 0.1 0.1 0.1 -
[1] 1cps.a 0 0.4 0.1
0
0.1 0.1 0.6 0.1 0.1 0 0.4 0.3 0.1 0.2 0.2 1.0 1.0 0.9 0.7 0.5 0.4 0.5 0.5 0.9 -
[1] 1cpx.a 0 0.6 0.4 0.1
0.4
0.1 0.7 0.2 0.2 0 0.2 0.1 0.2 0.2 0.6 0.5 0.4 0.7 0.6 1.0 0.2 0.7 0.7 0.9 -
[1] 1f57.a 0 0.2 0 0.2 0
0
0.4 0 0 0.2 0 0 0 0.3 0.2 1.2 0.6 1.2 1.2 0.2 1.0 0.2 0.1 0.2 -
[1] 1hdq.a 0 0.4 0.1 0.1 0.1 0.1
0
0.2 0.2 0.1 0.4 0 0.1 0 0.4 0.1 0.2 0.4 0.3 0.7 0.2 0.4 0.3 0.6 -
[1] 1hdu.a 0.3 0 0.1 0.2 0 0 0.6
0
0 0.3 0.1 0.2 0.1 0.4 0.3 1.2 0.5 1.1 0.9 0.4 0.2 0.1 0.1 0.4 -
[1] 1hee.a 0.3 0 0.1 0.2 0 0 0.6 0
0
0.3 0.1 0.2 0.1 0.4 0.3 1.2 0.5 1.1 0.9 0.4 0.2 0.1 0.1 0.4 -
[1] 1iy7.a 0.1 0.2 0.2 0.2 0.1 0.1 1.2 0.1 0.1
0
0.3 0 0.2 0.7 0.5 1.1 1.8 0.6 0.6 0.5 0.1 0.6 0.6 0.8 -
[1] 1zlh.a 0 0.5 0.3 0.3 0.1 0.2 1.4 0.3 0.3 0.5
0
0 0.4 0.9 0.9 1.5 1.1 1.0 0.9 0.8 0.3 0.2 0.3 0.4 -
[1] 2abz.a 0 0.5 0.3 0.4 0.1 0.3 2.0 0.4 0.4 0.5 0.1
0
0.2 1.0 0.9 1.7 1.0 0.9 0.9 0.8 0.2 0.2 0.3 0.7 -
[1] 2ctc.a 0 0.4 0.2 0.3 0.1 0.2 1.8 0.1 0.1 0.3 0.2 0
0.1
0.6 0.6 1.6 0.9 0.9 1.0 0.5 0.1 0.3 0.3 0.5 -
[1] 2rfh.a 0 0.5 0.2 0.1 0.4 0.3 0 0.1 0.1 0.1 0.2 0.1 0.1
0
0.4 0.1 0.1 0.3 0.1 0.9 0.2 0.3 0.3 0.4 -
[1] 3cpa.a 0.1 0 0 0.3 0 0 1.0 0 0 0.1 0.4 0.1 0 0.2
0.2
1.0 0.6 0.7 0.8 0 0.1 0.2 0.1 0.4 -
[1] 3fvl.a 0 0.5 0.5 0.2 0.4 0.3 0.5 0.2 0.2 0.2 0.2 0.2 0.1 0.2 0.6
0.1
0.4 0.2 0.2 0.9 0.2 0.3 0.3 0.6 -
[1] 3fx6.a 0 0.5 0.4 0.2 0.4 0.3 0.5 0.2 0.2 0.2 0.1 0.2 0.1 0.3 0.6 0.1
0.3
0.2 0.2 0.9 0.2 0.3 0.3 0.5 -
[1] 3hlp.a 0 0.5 0.6 0.3 0.4 0.5 1.1 0.4 0.4 0.2 0.5 0.8 0.4 0.6 1.0 0.6 1.4
0
0 1.0 0.7 0.8 0.8 1.7 -
[1] 3hlp.b 0 0.5 0.5 0.2 0.4 0.4 1.4 0.4 0.4 0 0.1 0.4 0.2 0.7 0.8 0.3 0.9 0
0
1.0 0.4 0.6 0.6 1.5 -
[1] 3i1u.a 0.2 0.1 0.2 0.3 0.3 0.2 1.9 0.1 0.1 0.3 0.5 0.1 0.1 0.7 0.7 1.4 0.8 0.9 0.6
0.5
0.3 0.5 0.4 0.6 -
[1] 4cpa.a 0.1 0.4 0.2 0.4 0 0.2 1.6 0.1 0.1 0.3 0.2 0.2 0.1 0.6 0.6 1.2 0.8 0.5 0.6 0.4
0.1
0.2 0.2 0.2 -
[1] 6cpa.a 0 0.6 0.3 0.3 0 0.2 1.1 0.1 0.1 0.5 0.4 0.1 0.1 0.7 1.0 1.8 0.7 1.9 1.0 0.6 0.3
0.2
0.5 0.2 -
[1] 7cpa.a 0 0.3 0.1 0.3 0 0.2 1.3 0.1 0.1 0.3 0.1 0 0.1 0.7 0.7 1.8 0.8 1.1 1.2 0.4 0.3 0.2
0.2
0.3 -
[1] 8cpa.a 0 0.4 0.1 0.3 0 0.3 1.3 0 0 0.3 0.1 0 0 0.8 0.7 1.7 1.0 1.0 0.9 0.4 0.2 0.1 0.2
0.2
-
[2] 1pyt.a 0 0.4 0.1 0 0.3 0.1 0.1 0.1 0.1 0.1 14 13 0.1 0 0.4 0 0.2 1.8 0.1 0.7 9.2 5.9 6.4 5.5
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 clusters)

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
1arm.a
1bav.b
1cbx.a
1cps.a
1cpx.a
1f57.a
1hdq.a
1hdu.a
1hee.a
1iy7.a
1zlh.a
2abz.a
2ctc.a
2rfh.a
3cpa.a
3fvl.a
3fx6.a
3hlp.a
3hlp.b
3i1u.a
4cpa.a
6cpa.a
7cpa.a
8cpa.a
1pyt.a
[1] 1arm.a
0
.08 .07 .03 .05 .07 .04 .07 .07 .06 .07 .09 .08 .04 .07 .05 .05 .09 .08 .09 .08 .09 .09 .09 .48
[1] 1bav.b .08
0
.03 .05 .05 .04 .06 .04 .04 .07 .06 .06 .04 .06 .03 .05 .05 .06 .06 .06 .07 .06 .05 .04 .51
[1] 1cbx.a .07 .03
0
.05 .05 .03 .06 .03 .03 .04 .03 .03 .03 .07 .02 .06 .06 .08 .07 .03 .04 .04 .03 .03 .50
[1] 1cps.a .03 .05 .05
0
.05 .05 .05 .04 .04 .04 .07 .08 .06 .07 .05 .06 .06 .11 .11 .07 .07 .07 .07 .07 .50
[1] 1cpx.a .05 .05 .05 .05
0
.05 .02 .05 .05 .06 .06 .07 .06 .03 .05 .03 .03 .07 .05 .07 .07 .08 .07 .07 .48
[1] 1f57.a .07 .04 .03 .05 .05
0
.06 .03 .03 .06 .03 .04 .04 .07 .02 .07 .07 .09 .08 .04 .05 .05 .04 .04 .51
[1] 1hdq.a .04 .06 .06 .05 .02 .06
0
.06 .06 .07 .07 .08 .07 .02 .06 .02 .02 .07 .06 .08 .07 .09 .08 .08 .46
[1] 1hdu.a .07 .04 .03 .04 .05 .03 .06
0
0 .07 .06 .06 .05 .06 .03 .06 .06 .09 .09 .06 .06 .06 .04 .04 .50
[1] 1hee.a .07 .04 .03 .04 .05 .03 .06 0
0
.07 .06 .06 .05 .06 .03 .06 .06 .09 .09 .06 .06 .06 .04 .04 .50
[1] 1iy7.a .06 .07 .04 .04 .06 .06 .07 .07 .07
0
.05 .06 .05 .09 .05 .09 .09 .10 .09 .06 .07 .07 .07 .06 .53
[1] 1zlh.a .07 .06 .03 .07 .06 .03 .07 .06 .06 .05
0
.02 .04 .07 .05 .07 .07 .08 .07 .03 .03 .05 .04 .03 .51
[1] 2abz.a .09 .06 .03 .08 .07 .04 .08 .06 .06 .06 .02
0
.03 .09 .05 .08 .08 .09 .08 .01 .03 .05 .04 .03 .52
[1] 2ctc.a .08 .04 .03 .06 .06 .04 .07 .05 .05 .05 .04 .03
0
.08 .03 .08 .08 .09 .07 .03 .04 .05 .03 .02 .52
[1] 2rfh.a .04 .06 .07 .07 .03 .07 .02 .06 .06 .09 .07 .09 .08
0
.07 .02 .02 .06 .06 .08 .08 .09 .09 .09 .45
[1] 3cpa.a .07 .03 .02 .05 .05 .02 .06 .03 .03 .05 .05 .05 .03 .07
0
.06 .06 .08 .07 .05 .05 .05 .04 .03 .50
[1] 3fvl.a .05 .05 .06 .06 .03 .07 .02 .06 .06 .09 .07 .08 .08 .02 .06
0
0 .05 .05 .08 .07 .09 .09 .08 .45
[1] 3fx6.a .05 .05 .06 .06 .03 .07 .02 .06 .06 .09 .07 .08 .08 .02 .06 0
0
.05 .05 .08 .07 .09 .09 .08 .45
[1] 3hlp.a .09 .06 .08 .11 .07 .09 .07 .09 .09 .10 .08 .09 .09 .06 .08 .05 .05
0
.03 .09 .09 .09 .09 .09 .49
[1] 3hlp.b .08 .06 .07 .11 .05 .08 .06 .09 .09 .09 .07 .08 .07 .06 .07 .05 .05 .03
0
.08 .08 .09 .08 .07 .49
[1] 3i1u.a .09 .06 .03 .07 .07 .04 .08 .06 .06 .06 .03 .01 .03 .08 .05 .08 .08 .09 .08
0
.04 .06 .05 .04 .52
[1] 4cpa.a .08 .07 .04 .07 .07 .05 .07 .06 .06 .07 .03 .03 .04 .08 .05 .07 .07 .09 .08 .04
0
.07 .04 .05 .51
[1] 6cpa.a .09 .06 .04 .07 .08 .05 .09 .06 .06 .07 .05 .05 .05 .09 .05 .09 .09 .09 .09 .06 .07
0
.04 .04 .53
[1] 7cpa.a .09 .05 .03 .07 .07 .04 .08 .04 .04 .07 .04 .04 .03 .09 .04 .09 .09 .09 .08 .05 .04 .04
0
.02 .53
[1] 8cpa.a .09 .04 .03 .07 .07 .04 .08 .04 .04 .06 .03 .03 .02 .09 .03 .08 .08 .09 .07 .04 .05 .04 .02
0
.52
[2] 1pyt.a .48 .51 .50 .50 .48 .51 .46 .50 .50 .53 .51 .52 .52 .45 .50 .45 .45 .49 .49 .52 .51 .53 .53 .52
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.9 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
1arm.a
1bav.b
1cbx.a
1cps.a
1cpx.a
1f57.a
1hdq.a
1hdu.a
1hee.a
1iy7.a
1zlh.a
2abz.a
2ctc.a
2rfh.a
3cpa.a
3fvl.a
3fx6.a
3hlp.a
3hlp.b
3i1u.a
4cpa.a
6cpa.a
7cpa.a
8cpa.a
1pyt.a
[1] 1arm.a
0
0.3 0.3 0.4 0.2 0.3 0.2 0.2 0.2 0.3 0.4 0.5 0.2 0.2 0.2 0.4 0.4 0.4 0.4 0.4 0.5 0.4 0.5 0.5 0.3
[1] 1bav.b 0.3
0
0.3 0.5 0.2 0.4 0.4 0.3 0.3 0.3 0.4 0.4 0.3 0.3 0.3 0.4 0.4 0.3 0.2 0.3 0.5 0.3 0.4 0.4 0.4
[1] 1cbx.a 0.3 0.3
0
0.5 0.3 0.4 0.3 0.3 0.3 0.2 0.3 0.4 0.2 0.4 0.3 0.4 0.4 0.4 0.3 0.3 0.4 0.3 0.3 0.4 0.4
[1] 1cps.a 0.4 0.5 0.5
0
0.4 0.5 0.4 0.4 0.4 0.4 0.5 0.6 0.4 0.4 0.3 0.3 0.3 0.6 0.5 0.6 0.6 0.5 0.6 0.6 0.4
[1] 1cpx.a 0.2 0.2 0.3 0.4
0
0.3 0.2 0.2 0.2 0.2 0.3 0.4 0.2 0.2 0.3 0.4 0.4 0.3 0.3 0.3 0.4 0.3 0.4 0.4 0.3
[1] 1f57.a 0.3 0.4 0.4 0.5 0.3
0
0.3 0.3 0.3 0.4 0.4 0.5 0.4 0.3 0.4 0.4 0.4 0.5 0.4 0.5 0.6 0.5 0.5 0.5 0.4
[1] 1hdq.a 0.2 0.4 0.3 0.4 0.2 0.3
0
0.2 0.2 0.3 0.4 0.5 0.3 0.2 0.2 0.3 0.3 0.4 0.4 0.5 0.5 0.5 0.5 0.5 0.2
[1] 1hdu.a 0.2 0.3 0.3 0.4 0.2 0.3 0.2
0
0 0.3 0.4 0.5 0.3 0.2 0.2 0.4 0.4 0.4 0.3 0.5 0.5 0.4 0.5 0.5 0.3
[1] 1hee.a 0.2 0.3 0.3 0.4 0.2 0.3 0.2 0
0
0.3 0.4 0.5 0.3 0.2 0.2 0.4 0.4 0.4 0.3 0.5 0.5 0.4 0.5 0.5 0.3
[1] 1iy7.a 0.3 0.3 0.2 0.4 0.2 0.4 0.3 0.3 0.3
0
0.2 0.3 0.1 0.3 0.3 0.4 0.4 0.4 0.3 0.3 0.4 0.2 0.3 0.3 0.4
[1] 1zlh.a 0.4 0.4 0.3 0.5 0.3 0.4 0.4 0.4 0.4 0.2
0
0.2 0.3 0.4 0.4 0.5 0.5 0.4 0.4 0.3 0.4 0.3 0.3 0.3 0.5
[1] 2abz.a 0.5 0.4 0.4 0.6 0.4 0.5 0.5 0.5 0.5 0.3 0.2
0
0.3 0.5 0.5 0.6 0.6 0.5 0.4 0.3 0.4 0.3 0.2 0.3 0.6
[1] 2ctc.a 0.2 0.3 0.2 0.4 0.2 0.4 0.3 0.3 0.3 0.1 0.3 0.3
0
0.3 0.3 0.4 0.4 0.3 0.3 0.3 0.4 0.3 0.3 0.3 0.4
[1] 2rfh.a 0.2 0.3 0.4 0.4 0.2 0.3 0.2 0.2 0.2 0.3 0.4 0.5 0.3
0
0.2 0.4 0.4 0.4 0.4 0.5 0.5 0.5 0.5 0.5 0.3
[1] 3cpa.a 0.2 0.3 0.3 0.3 0.3 0.4 0.2 0.2 0.2 0.3 0.4 0.5 0.3 0.2
0
0.3 0.3 0.4 0.4 0.5 0.5 0.5 0.5 0.5 0.3
[1] 3fvl.a 0.4 0.4 0.4 0.3 0.4 0.4 0.3 0.4 0.4 0.4 0.5 0.6 0.4 0.4 0.3
0
0 0.5 0.4 0.5 0.5 0.5 0.6 0.5 0.4
[1] 3fx6.a 0.4 0.4 0.4 0.3 0.4 0.4 0.3 0.4 0.4 0.4 0.5 0.6 0.4 0.4 0.3 0
0
0.5 0.4 0.5 0.5 0.5 0.5 0.5 0.4
[1] 3hlp.a 0.4 0.3 0.4 0.6 0.3 0.5 0.4 0.4 0.4 0.4 0.4 0.5 0.3 0.4 0.4 0.5 0.5
0
0.2 0.4 0.6 0.4 0.5 0.4 0.5
[1] 3hlp.b 0.4 0.2 0.3 0.5 0.3 0.4 0.4 0.3 0.3 0.3 0.4 0.4 0.3 0.4 0.4 0.4 0.4 0.2
0
0.3 0.5 0.4 0.4 0.4 0.5
[1] 3i1u.a 0.4 0.3 0.3 0.6 0.3 0.5 0.5 0.5 0.5 0.3 0.3 0.3 0.3 0.5 0.5 0.5 0.5 0.4 0.3
0
0.4 0.2 0.2 0.2 0.5
[1] 4cpa.a 0.5 0.5 0.4 0.6 0.4 0.6 0.5 0.5 0.5 0.4 0.4 0.4 0.4 0.5 0.5 0.5 0.5 0.6 0.5 0.4
0
0.4 0.4 0.4 0.6
[1] 6cpa.a 0.4 0.3 0.3 0.5 0.3 0.5 0.5 0.4 0.4 0.2 0.3 0.3 0.3 0.5 0.5 0.5 0.5 0.4 0.4 0.2 0.4
0
0.2 0.2 0.5
[1] 7cpa.a 0.5 0.4 0.3 0.6 0.4 0.5 0.5 0.5 0.5 0.3 0.3 0.2 0.3 0.5 0.5 0.6 0.5 0.5 0.4 0.2 0.4 0.2
0
0.2 0.6
[1] 8cpa.a 0.5 0.4 0.4 0.6 0.4 0.5 0.5 0.5 0.5 0.3 0.3 0.3 0.3 0.5 0.5 0.5 0.5 0.4 0.4 0.2 0.4 0.2 0.2
0
0.6
[2] 1pyt.a 0.3 0.4 0.4 0.4 0.3 0.4 0.2 0.3 0.3 0.4 0.5 0.6 0.4 0.3 0.3 0.4 0.4 0.5 0.5 0.5 0.6 0.5 0.6 0.6
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
1arm.a
1bav.b
1cbx.a
1cps.a
1cpx.a
1f57.a
1hdq.a
1hdu.a
1hee.a
1iy7.a
1zlh.a
2abz.a
2ctc.a
2rfh.a
3cpa.a
3fvl.a
3fx6.a
3hlp.a
3hlp.b
3i1u.a
4cpa.a
6cpa.a
7cpa.a
8cpa.a
1pyt.a
[1] 1arm.a
0
0.8 0.7 0.8 0.5 1.4 0.6 0.8 0.8 0.6 0.7 0.8 0.5 0.7 0.9 0.6 0.7 0.8 0.8 0.8 0.9 1.0 0.9 1.0 0.7
[1] 1bav.b 0.8
0
0.6 0.7 0.8 1.5 0.8 0.7 0.7 0.9 0.8 0.8 0.8 0.9 0.8 0.7 0.7 0.9 0.9 0.9 0.9 0.8 0.8 0.8 0.9
[1] 1cbx.a 0.7 0.6
0
0.7 0.8 1.5 0.8 0.7 0.7 0.7 0.8 0.8 0.5 0.9 0.8 0.8 0.8 0.9 0.9 0.8 0.8 0.9 0.7 0.8 0.9
[1] 1cps.a 0.8 0.7 0.7
0
0.7 1.5 0.7 0.8 0.8 0.9 0.9 1.0 0.8 0.9 0.8 0.8 0.8 1.0 0.9 1.0 0.9 1.0 0.8 0.9 0.9
[1] 1cpx.a 0.5 0.8 0.8 0.7
0
1.4 0.7 0.8 0.8 0.7 0.7 0.7 0.6 0.8 0.9 0.7 0.7 0.8 0.7 0.8 1.0 1.0 0.7 0.9 0.7
[1] 1f57.a 1.4 1.5 1.5 1.5 1.4
0
1.3 1.4 1.4 1.4 1.5 1.6 1.5 1.2 1.4 1.4 1.4 1.6 1.6 1.6 1.7 1.6 1.6 1.7 1.4
[1] 1hdq.a 0.6 0.8 0.8 0.7 0.7 1.3
0
0.8 0.8 0.8 0.8 0.9 0.7 0.5 0.9 0.4 0.4 0.9 0.9 0.9 1.0 1.1 1.0 1.1 0.6
[1] 1hdu.a 0.8 0.7 0.7 0.8 0.8 1.4 0.8
0
0 0.9 0.9 0.9 0.8 0.9 0.9 0.9 0.9 0.9 0.9 0.9 1.0 0.7 0.8 0.8 1.0
[1] 1hee.a 0.8 0.7 0.7 0.8 0.8 1.4 0.8 0
0
0.9 0.9 0.9 0.8 0.9 0.9 0.9 0.9 0.9 0.9 0.9 1.0 0.7 0.8 0.8 1.0
[1] 1iy7.a 0.6 0.9 0.7 0.9 0.7 1.4 0.8 0.9 0.9
0
0.8 0.8 0.5 0.9 0.9 0.8 0.8 0.9 0.8 0.7 0.9 0.9 0.9 1.0 0.9
[1] 1zlh.a 0.7 0.8 0.8 0.9 0.7 1.5 0.8 0.9 0.9 0.8
0
0.3 0.6 0.8 0.9 0.8 0.8 0.9 0.9 0.6 0.8 0.9 0.9 0.9 0.9
[1] 2abz.a 0.8 0.8 0.8 1.0 0.7 1.6 0.9 0.9 0.9 0.8 0.3
0
0.6 0.8 0.9 0.8 0.8 0.9 0.9 0.6 0.8 0.9 0.8 0.9 0.9
[1] 2ctc.a 0.5 0.8 0.5 0.8 0.6 1.5 0.7 0.8 0.8 0.5 0.6 0.6
0
0.8 0.9 0.7 0.7 0.8 0.7 0.6 0.9 1.0 0.8 0.9 0.8
[1] 2rfh.a 0.7 0.9 0.9 0.9 0.8 1.2 0.5 0.9 0.9 0.9 0.8 0.8 0.8
0
0.9 0.6 0.6 1.0 0.9 0.9 1.0 1.2 1.1 1.2 0.7
[1] 3cpa.a 0.9 0.8 0.8 0.8 0.9 1.4 0.9 0.9 0.9 0.9 0.9 0.9 0.9 0.9
0
0.9 0.9 1.1 1.1 1.0 0.8 0.9 1.0 1.1 0.9
[1] 3fvl.a 0.6 0.7 0.8 0.8 0.7 1.4 0.4 0.9 0.9 0.8 0.8 0.8 0.7 0.6 0.9
0
0 0.8 0.8 0.9 1.0 1.1 1.0 1.1 0.6
[1] 3fx6.a 0.7 0.7 0.8 0.8 0.7 1.4 0.4 0.9 0.9 0.8 0.8 0.8 0.7 0.6 0.9 0
0
0.8 0.8 0.9 1.0 1.1 1.0 1.0 0.6
[1] 3hlp.a 0.8 0.9 0.9 1.0 0.8 1.6 0.9 0.9 0.9 0.9 0.9 0.9 0.8 1.0 1.1 0.8 0.8
0
0.2 0.8 1.1 1.1 1.0 0.9 1.0
[1] 3hlp.b 0.8 0.9 0.9 0.9 0.7 1.6 0.9 0.9 0.9 0.8 0.9 0.9 0.7 0.9 1.1 0.8 0.8 0.2
0
0.8 1.1 1.1 1.0 0.9 1.0
[1] 3i1u.a 0.8 0.9 0.8 1.0 0.8 1.6 0.9 0.9 0.9 0.7 0.6 0.6 0.6 0.9 1.0 0.9 0.9 0.8 0.8
0
0.9 0.9 0.9 0.9 1.0
[1] 4cpa.a 0.9 0.9 0.8 0.9 1.0 1.7 1.0 1.0 1.0 0.9 0.8 0.8 0.9 1.0 0.8 1.0 1.0 1.1 1.1 0.9
0
0.9 0.9 0.9 1.0
[1] 6cpa.a 1.0 0.8 0.9 1.0 1.0 1.6 1.1 0.7 0.7 0.9 0.9 0.9 1.0 1.2 0.9 1.1 1.1 1.1 1.1 0.9 0.9
0
0.8 0.7 1.2
[1] 7cpa.a 0.9 0.8 0.7 0.8 0.7 1.6 1.0 0.8 0.8 0.9 0.9 0.8 0.8 1.1 1.0 1.0 1.0 1.0 1.0 0.9 0.9 0.8
0
0.5 1.1
[1] 8cpa.a 1.0 0.8 0.8 0.9 0.9 1.7 1.1 0.8 0.8 1.0 0.9 0.9 0.9 1.2 1.1 1.1 1.0 0.9 0.9 0.9 0.9 0.7 0.5
0
1.2
[2] 1pyt.a 0.7 0.9 0.9 0.9 0.7 1.4 0.6 1.0 1.0 0.9 0.9 0.9 0.8 0.7 0.9 0.6 0.6 1.0 1.0 1.0 1.0 1.2 1.1 1.2
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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