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ACE_HUMAN_30_649

Angiotensin-converting enzyme [Peptidase M2 family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ACE_HUMAN):R: Peptidase M2 1 (61, 64, 65, 68, 288, 289, 291, 360:365, 367, 383, 384, 386, 387, 390, 391, 394, 398, 401, 406, 407, 409, 410, 417, 418, 422, 460, 464, 518:520, 523, 525, 527, 529, 530, 534)61, 64, 65, 68, 288, 289, 291, 360:365, 367, 383, 384, 386, 387, 390, 391, 394, 398, 401, 406, 407, 409, 410, 417, 418, 422, 460, 464, 518:520, 523, 525, 527, 529, 530, 534
Metals (Me):Zn

Full PDB list

2c6f, 2c6n, 2xyd, 3nxq, 4bxk, 4bzs, 4ca6, 4ufa, 4ufb, 5am8, 5am9, 5ama, 5amb, 5amc

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
L
6
1
S
6
4
V
6
5
S
6
8
Q
2
8
8
S
2
8
9
H
3
6
0
A
3
6
1
S
3
6
2
A
3
6
3
W
3
6
4
D
3
6
5
Y
3
6
7
D
3
8
3
S
3
8
6
T
3
8
7
H
3
9
0
E
3
9
1
H
3
9
4
Y
3
9
8
R
4
1
0
H
4
1
7
E
4
1
8
D
4
2
2
E
4
6
0
F
4
6
4
K
5
1
8
F
5
1
9
H
5
2
0
T
5
2
5
Y
5
2
7
R
5
2
9
Y
5
3
0
F
5
3
4
[1]2c6f.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2c6n.a lpr29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2xyd.a 3es51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3nxq.b rx434 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4bxk.b 1iu33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4bzs.b 9x6,k2646 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4ca6.b 3ef51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4ufa.a p6g,sacD37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4ufb.b KP17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4ufb.d KP,p6g36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5am8.a DSG15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5am9.a QK19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5am9.b EV,p6g36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5am9.c EV17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5ama.a DS15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5ama.c DS,p6g34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5amb.a IA,p6g33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5amc.a Gniy20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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
L
6
1
S
6
4
V
6
5
S
6
8
Q
2
8
8
S
2
8
9
E
2
9
1
H
3
6
0
A
3
6
1
S
3
6
2
A
3
6
3
W
3
6
4
D
3
6
5
Y
3
6
7
D
3
8
3
Q
3
8
4
S
3
8
6
T
3
8
7
H
3
9
0
E
3
9
1
H
3
9
4
Y
3
9
8
Y
4
0
1
V
4
0
6
S
4
0
7
R
4
0
9
R
4
1
0
H
4
1
7
E
4
1
8
D
4
2
2
E
4
6
0
F
4
6
4
K
5
1
8
F
5
1
9
H
5
2
0
N
5
2
3
T
5
2
5
Y
5
2
7
R
5
2
9
Y
5
3
0
F
5
3
4
[1]2c6f.a . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . Zn
[1]2c6n.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2xyd.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3nxq.b . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . Zn
[1]4bxk.b . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4bzs.b . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4ca6.b . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4ufa.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4ufb.b . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4ufb.d . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5am8.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5am9.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5am9.b . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5am9.c . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5ama.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5ama.c . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5amb.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5amc.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

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
2c6f.a is apo
2c6n.a:lpr
2xyd.a:3es
3nxq.b:rx4
4bxk.b:1iu
4bzs.b:9x6,k26
4ca6.b:3ef
4ufa.a:p6g,sacD
4ufb.b:KP
4ufb.d:KP,p6g
5am8.a:DSG
5am9.a:QK
5am9.b:EV,p6g
5am9.c:EV
5ama.a:DS
5ama.c:DS,p6g
5amb.a:IA,p6g
5amc.a:Gniy
[1] 2c6f.a
-
0.4 0.5 0.2 0.1 0.4 0.1 1.1 0 2.3 0 0 1.8 0 0 0 1.5 0
[1] 2c6n.a -
0.2
0.4 0.2 0.1 0.2 0.1 0 0 0 0 0 0 0 0 0 0 0
[1] 2xyd.a - 0.3
0
0.3 0.2 0.1 0.2 0 0 0 0 0 0 0 0 0 0 0
[1] 3nxq.b - 0.2 1.1
0.3
0.6 1.7 1.1 2.2 0 2.7 0 0 2.3 0 0 0.9 2.9 0
[1] 4bxk.b - 0.2 0.2 0.2
0.1
0.1 0.2 0.1 0 0.1 0 0 0.1 0 0 0 0 0
[1] 4bzs.b - 0.2 0.6 0.2 0
0.2
0.3 0 0 0 0 0 0 0 0 0 0 0
[1] 4ca6.b - 0.2 0.3 0.3 0.1 0.2
0.1
0.1 0 0 0 0 0 0 0 0 0 0
[1] 4ufa.a - 0.4 0.8 0.5 0.3 0.2 0.6
0
0.1 0.1 0.2 0.3 0.2 0.1 0.2 0.1 0 0
[1] 4ufb.b - 0.5 0.8 0.6 0.4 0.5 0.6 0.1
0.1
0.1 0 0 0 0 0 0 0 0
[1] 4ufb.d - 0.6 1.0 0.5 0.4 0.3 0.5 0.1 0.1
0.1
0 0.1 0 0 0.1 0.1 0 0
[1] 5am8.a - 0.3 0.8 0.3 0.4 0.4 0.4 0 0.1 0.1
0
0 0.1 0.1 0 0 0 0
[1] 5am9.a - 0.4 1.0 0.4 0.4 0.5 0.5 0.1 0.1 0.1 0
0
0.1 0 0 0 0 0
[1] 5am9.b - 0.4 1.0 0.4 0.2 0.4 0.5 0 0.1 0.1 0 0
0.1
0 0 0 0 0.1
[1] 5am9.c - 0.5 0.9 0.4 0.5 0.2 0.7 0.1 0.1 0.2 0 0 0
0
0 0 0 0.1
[1] 5ama.a - 0.3 0.7 0.3 0.3 0.3 0.3 0.1 0.1 0.1 0 0 0 0
0
0 0 0
[1] 5ama.c - 0.5 0.8 0.2 0.2 0.2 0.2 0.1 0.1 0.1 0 0 0.1 0 0
0
0 0
[1] 5amb.a - 0.3 0.8 0.4 0.3 0.5 0.4 0.1 0.1 0.1 0 0 0 0 0 0
0
0
[1] 5amc.a - 0.4 0.7 0.2 0.2 0.2 0.5 0 0.1 0.1 0 0 0 0 0 0 0
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
2c6f.a
2c6n.a
2xyd.a
3nxq.b
4bxk.b
4bzs.b
4ca6.b
4ufa.a
4ufb.b
4ufb.d
5am8.a
5am9.a
5am9.b
5am9.c
5ama.a
5ama.c
5amb.a
5amc.a
[1] 2c6f.a
0
.07 .08 .04 .07 .07 .08 .07 .08 .08 .07 .07 .07 .07 .07 .07 .07 .07
[1] 2c6n.a .07
0
.02 .10 .02 .02 .02 .03 .03 .03 .02 .02 .03 .02 .02 .03 .03 .02
[1] 2xyd.a .08 .02
0
.08 .02 .01 .01 .02 .02 .02 .02 .02 .02 .02 .02 .02 .01 .02
[1] 3nxq.b .04 .10 .08
0
.08 .08 .07 .09 .09 .10 .09 .09 .09 .09 .09 .09 .08 .09
[1] 4bxk.b .07 .02 .02 .08
0
.01 .01 .02 .03 .03 .02 .02 .02 .02 .02 .02 .02 .02
[1] 4bzs.b .07 .02 .01 .08 .01
0
.01 .02 .03 .03 .02 .02 .02 .02 .02 .02 .02 .01
[1] 4ca6.b .08 .02 .01 .07 .01 .01
0
.01 .02 .02 .01 .02 .01 .02 .01 .02 .01 .01
[1] 4ufa.a .07 .03 .02 .09 .02 .02 .01
0
.01 .02 0 .02 0 .01 .01 .01 .01 0
[1] 4ufb.b .08 .03 .02 .09 .03 .03 .02 .01
0
0 .01 .01 .01 .01 .01 .01 .01 .02
[1] 4ufb.d .08 .03 .02 .10 .03 .03 .02 .02 0
0
.02 .01 .01 .01 .02 .01 .01 .02
[1] 5am8.a .07 .02 .02 .09 .02 .02 .01 0 .01 .02
0
.01 .01 .02 0 .01 .01 .01
[1] 5am9.a .07 .02 .02 .09 .02 .02 .02 .02 .01 .01 .01
0
.01 .01 .01 .01 .01 .02
[1] 5am9.b .07 .03 .02 .09 .02 .02 .01 0 .01 .01 .01 .01
0
.01 .01 .01 .01 .01
[1] 5am9.c .07 .02 .02 .09 .02 .02 .02 .01 .01 .01 .02 .01 .01
0
.01 .01 .02 .01
[1] 5ama.a .07 .02 .02 .09 .02 .02 .01 .01 .01 .02 0 .01 .01 .01
0
.01 .01 .01
[1] 5ama.c .07 .03 .02 .09 .02 .02 .02 .01 .01 .01 .01 .01 .01 .01 .01
0
.01 .01
[1] 5amb.a .07 .03 .01 .08 .02 .02 .01 .01 .01 .01 .01 .01 .01 .02 .01 .01
0
.02
[1] 5amc.a .07 .02 .02 .09 .02 .01 .01 0 .02 .02 .01 .02 .01 .01 .01 .01 .02
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.6 Å)

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

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
2c6f.a
2c6n.a
2xyd.a
3nxq.b
4bxk.b
4bzs.b
4ca6.b
4ufa.a
4ufb.b
4ufb.d
5am8.a
5am9.a
5am9.b
5am9.c
5ama.a
5ama.c
5amb.a
5amc.a
[1] 2c6f.a
0
0.4 0.4 0.4 0.4 0.4 0.4 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.4 0.3
[1] 2c6n.a 0.4
0
0.6 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5
[1] 2xyd.a 0.4 0.6
0
0.2 0.2 0.2 0.2 0.2 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.2 0.3 0.2
[1] 3nxq.b 0.4 0.5 0.2
0
0.1 0.2 0.2 0.2 0.2 0.2 0.2 0.3 0.2 0.2 0.2 0.2 0.2 0.2
[1] 4bxk.b 0.4 0.5 0.2 0.1
0
0.2 0.2 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.2
[1] 4bzs.b 0.4 0.5 0.2 0.2 0.2
0
0.2 0.2 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.2 0.2
[1] 4ca6.b 0.4 0.5 0.2 0.2 0.2 0.2
0
0.3 0.3 0.3 0.2 0.2 0.3 0.2 0.2 0.2 0.3 0.2
[1] 4ufa.a 0.3 0.5 0.2 0.2 0.3 0.2 0.3
0
0.2 0.1 0.2 0.2 0.2 0.2 0.2 0.2 0.1 0.1
[1] 4ufb.b 0.3 0.5 0.3 0.2 0.3 0.3 0.3 0.2
0
0.1 0.2 0.2 0.1 0.2 0.1 0.2 0.1 0.2
[1] 4ufb.d 0.3 0.5 0.3 0.2 0.3 0.3 0.3 0.1 0.1
0
0.2 0.2 0.1 0.1 0.1 0.1 0.1 0.2
[1] 5am8.a 0.3 0.5 0.3 0.2 0.3 0.3 0.2 0.2 0.2 0.2
0
0.1 0.2 0.2 0.1 0.1 0.2 0.2
[1] 5am9.a 0.3 0.5 0.3 0.3 0.3 0.3 0.2 0.2 0.2 0.2 0.1
0
0.1 0.1 0.1 0.1 0.2 0.2
[1] 5am9.b 0.3 0.5 0.3 0.2 0.3 0.3 0.3 0.2 0.1 0.1 0.2 0.1
0
0.1 0.1 0.1 0.2 0.2
[1] 5am9.c 0.3 0.5 0.3 0.2 0.3 0.3 0.2 0.2 0.2 0.1 0.2 0.1 0.1
0
0.1 0.1 0.2 0.2
[1] 5ama.a 0.3 0.5 0.3 0.2 0.3 0.3 0.2 0.2 0.1 0.1 0.1 0.1 0.1 0.1
0
0.1 0.2 0.2
[1] 5ama.c 0.3 0.5 0.2 0.2 0.3 0.3 0.2 0.2 0.2 0.1 0.1 0.1 0.1 0.1 0.1
0
0.2 0.2
[1] 5amb.a 0.4 0.5 0.3 0.2 0.3 0.2 0.3 0.1 0.1 0.1 0.2 0.2 0.2 0.2 0.2 0.2
0
0.1
[1] 5amc.a 0.3 0.5 0.2 0.2 0.2 0.2 0.2 0.1 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.1
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.2 Å)

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

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
2c6f.a
2c6n.a
2xyd.a
3nxq.b
4bxk.b
4bzs.b
4ca6.b
4ufa.a
4ufb.b
4ufb.d
5am8.a
5am9.a
5am9.b
5am9.c
5ama.a
5ama.c
5amb.a
5amc.a
[1] 2c6f.a
0
0.8 0.9 0.6 0.8 0.9 0.9 0.8 0.9 0.8 1.0 1.0 0.9 0.9 0.8 0.8 0.9 0.9
[1] 2c6n.a 0.8
0
0.8 1.1 0.9 0.8 0.9 0.8 0.8 0.8 0.9 1.0 0.8 0.8 0.8 0.8 1.0 1.0
[1] 2xyd.a 0.9 0.8
0
0.9 0.4 0.3 0.4 0.5 0.4 0.5 0.7 0.7 0.5 0.5 0.5 0.5 0.6 0.6
[1] 3nxq.b 0.6 1.1 0.9
0
0.8 0.9 0.9 0.9 0.9 0.9 1.0 1.1 1.0 1.0 0.9 0.9 0.9 1.0
[1] 4bxk.b 0.8 0.9 0.4 0.8
0
0.5 0.4 0.6 0.5 0.5 0.7 0.8 0.5 0.6 0.5 0.5 0.7 0.7
[1] 4bzs.b 0.9 0.8 0.3 0.9 0.5
0
0.5 0.5 0.5 0.5 0.7 0.7 0.5 0.6 0.5 0.5 0.7 0.7
[1] 4ca6.b 0.9 0.9 0.4 0.9 0.4 0.5
0
0.5 0.5 0.5 0.6 0.6 0.5 0.5 0.4 0.4 0.8 0.7
[1] 4ufa.a 0.8 0.8 0.5 0.9 0.6 0.5 0.5
0
0.4 0.5 0.6 0.6 0.5 0.5 0.5 0.5 0.6 0.5
[1] 4ufb.b 0.9 0.8 0.4 0.9 0.5 0.5 0.5 0.4
0
0.2 0.5 0.6 0.2 0.3 0.3 0.2 0.6 0.6
[1] 4ufb.d 0.8 0.8 0.5 0.9 0.5 0.5 0.5 0.5 0.2
0
0.5 0.5 0.2 0.3 0.3 0.2 0.7 0.6
[1] 5am8.a 1.0 0.9 0.7 1.0 0.7 0.7 0.6 0.6 0.5 0.5
0
0.2 0.5 0.6 0.5 0.5 0.6 0.5
[1] 5am9.a 1.0 1.0 0.7 1.1 0.8 0.7 0.6 0.6 0.6 0.5 0.2
0
0.5 0.6 0.5 0.5 0.6 0.5
[1] 5am9.b 0.9 0.8 0.5 1.0 0.5 0.5 0.5 0.5 0.2 0.2 0.5 0.5
0
0.2 0.3 0.2 0.7 0.6
[1] 5am9.c 0.9 0.8 0.5 1.0 0.6 0.6 0.5 0.5 0.3 0.3 0.6 0.6 0.2
0
0.3 0.2 0.6 0.5
[1] 5ama.a 0.8 0.8 0.5 0.9 0.5 0.5 0.4 0.5 0.3 0.3 0.5 0.5 0.3 0.3
0
0.2 0.7 0.6
[1] 5ama.c 0.8 0.8 0.5 0.9 0.5 0.5 0.4 0.5 0.2 0.2 0.5 0.5 0.2 0.2 0.2
0
0.7 0.6
[1] 5amb.a 0.9 1.0 0.6 0.9 0.7 0.7 0.8 0.6 0.6 0.7 0.6 0.6 0.7 0.6 0.7 0.7
0
0.3
[1] 5amc.a 0.9 1.0 0.6 1.0 0.7 0.7 0.7 0.5 0.6 0.6 0.5 0.5 0.6 0.5 0.6 0.6 0.3
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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