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ELAS_PSEAE_198_498

Elastase [Peptidase M4 family]

Composition of the binding site

Protein chains monomer
A1 (ELAS_PSEAE):308:311, 325, 326, 329, 334, 337, 338, 341, 352, 361, 383, 384, 387, 394, 395, 419, 420308:311, 325, 326, 329, 334, 337, 338, 341, 352, 361, 383, 384, 387, 394, 395, 419, 420
Metals (Me):Ca/Zn

Full PDB list

1ezm, 1u4g, 3dbk, 4k89 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
E
3
0
8
N
3
0
9
A
3
1
0
Y
3
1
1
M
3
2
5
F
3
2
6
L
3
2
9
V
3
3
4
H
3
3
7
E
3
3
8
H
3
4
1
Y
3
5
2
E
3
6
1
I
3
8
3
G
3
8
4
I
3
8
7
L
3
9
4
R
3
9
5
H
4
2
0
[1]1u4g.a hpi32 . . . . . . . . . . . . . . . . . . . Ca,Zn
[1]3dbk.a rdf37 . . . . . . . . . . . . . . . . . . . Ca,Zn
[1]4k89.a none . . . . . . . . . . . . . . . . . . . Ca,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
E
3
0
8
N
3
0
9
A
3
1
0
Y
3
1
1
M
3
2
5
F
3
2
6
L
3
2
9
V
3
3
4
H
3
3
7
E
3
3
8
H
3
4
1
Y
3
5
2
E
3
6
1
I
3
8
3
G
3
8
4
I
3
8
7
L
3
9
4
R
3
9
5
V
4
1
9
H
4
2
0
[1]1u4g.a . . . . . . . . . . . . . . . . . . . . Ca,Zn
[1]3dbk.a . . . . . . . . . . . . . . . . . . . . Ca,Zn
[1]4k89.a . . . . . . . . . . . * . . . . . . . . Ca,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
1u4g.a:hpi
3dbk.a:rdf
4k89.a is apo
[1] 1u4g.a
0
0.1 -
[1] 3dbk.a 0.3
0
-
[1] 4k89.a 0.6 1.4
-
[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
1u4g.a
3dbk.a
4k89.a
[1] 1u4g.a
0
.02 .09
[1] 3dbk.a .02
0
.09
[1] 4k89.a .09 .09
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.5 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
1u4g.a
3dbk.a
4k89.a
[1] 1u4g.a
0
0.4 1.6
[1] 3dbk.a 0.4
0
1.7
[1] 4k89.a 1.6 1.7
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
1u4g.a
3dbk.a
4k89.a
[1] 1u4g.a
0
1.5 2.1
[1] 3dbk.a 1.5
0
2.2
[1] 4k89.a 2.1 2.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

L C X E | Background Color: | Anaglyph Stereo:

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