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FA12_HUMAN_373_615

Coagulation factor XII [Peptidase S1 family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (FA12_HUMAN):D: Peptidase S1 (412, 557:561, 563, 584:589, 597)412, 557:561, 563, 584:589, 597

Full PDB list

4xde, 4xe4, 6b74, 6b77 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
H
4
1
2
D
5
5
7
A
5
5
8
C
5
5
9
Q
5
6
0
G
5
6
1
S
5
6
3
I
5
8
4
S
5
8
5
W
5
8
6
G
5
8
7
S
5
8
8
G
5
8
9
G
5
9
7
[1]4xde.a none . . . . . . . . . . . . . .
[1]6b74.b ben9 . . . . . . . . . . . . . .
[1]6b77.b cwv20 . . . . . . * . . . . . . .

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
H
4
1
2
D
5
5
7
A
5
5
8
C
5
5
9
Q
5
6
0
G
5
6
1
S
5
6
3
I
5
8
4
S
5
8
5
W
5
8
6
G
5
8
7
S
5
8
8
G
5
8
9
G
5
9
7
[1]4xde.a . . . . . . . . . . . * . .
[1]6b74.b . . . . . . . . . . . . . .
[1]6b77.b . . . . . . * . . . . . . .

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
4xde.a is apo
6b74.b:ben
6b77.b:cwv
[1] 4xde.a
-
0.7 1.3
[1] 6b74.b -
0.1
0.5
[1] 6b77.b - 0
0.4
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

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

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pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
4xde.a
6b74.b
6b77.b
[1] 4xde.a
0
.11 .09
[1] 6b74.b .11
0
.05
[1] 6b77.b .09 .05
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.4 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
4xde.a
6b74.b
6b77.b
[1] 4xde.a
0
3.2 3.2
[1] 6b74.b 3.2
0
0.4
[1] 6b77.b 3.2 0.4
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
4xde.a
6b74.b
6b77.b
[1] 4xde.a
0
4.2 4.2
[1] 6b74.b 4.2
0
0.4
[1] 6b77.b 4.2 0.4
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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