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CHIT_YEAST_22_315

Endochitinase [Glycosyl hydrolase 18 family. Chitinase class V subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CHIT_YEAST):R: Catalytic (32, 35, 60, 109:111, 155, 157, 187, 210, 212, 214, 247, 283, 285)32, 35, 60, 109:111, 155, 157, 187, 210, 212, 214, 247, 283, 285

Full PDB list

2uy2, 2uy3, 2uy4, 2uy5, 4txe

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
Y
3
2
Q
3
5
F
6
0
A
1
1
0
D
1
5
5
E
1
5
7
A
1
8
7
F
2
1
0
Q
2
1
2
Y
2
1
4
G
2
4
7
A
2
8
3
W
2
8
5
[1]2uy2.a none . . . . . . . . . . . . .
[1]2uy3.a h3314 . . . . . . . . . . . . .
[1]2uy4.a azm13 . . . . . . . . . . . . .
[1]2uy5.a h3516 . . . . . . . . . . . . .
[1]4txe.a 38f23 . . . . . . . . . . . . .

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
Y
3
2
Q
3
5
F
6
0
G
1
0
9
A
1
1
0
S
1
1
1
D
1
5
5
E
1
5
7
A
1
8
7
F
2
1
0
Q
2
1
2
Y
2
1
4
G
2
4
7
A
2
8
3
W
2
8
5
[1]2uy2.a . . . . . . . . . . . . . . .
[1]2uy3.a . . . . . . . . . . . . . . .
[1]2uy4.a . . . . . . . . . . . * . . .
[1]2uy5.a . . . . . . . . . . . . . . .
[1]4txe.a . . . . . . . . . . . . . . .

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
2uy2.a is apo
2uy3.a:h33
2uy4.a:azm
2uy5.a:h35
4txe.a:38f
[1] 2uy2.a
-
0 0 0.1 0.4
[1] 2uy3.a -
0
0.1 0.3 0.4
[1] 2uy4.a - 0.1
0
0.2 0.7
[1] 2uy5.a - 0 0.1
0.1
0.2
[1] 4txe.a - 0 0.1 0.2
0
[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
2uy2.a
2uy3.a
2uy4.a
2uy5.a
4txe.a
[1] 2uy2.a
0
.07 .08 .03 .04
[1] 2uy3.a .07
0
.03 .03 .03
[1] 2uy4.a .08 .03
0
.06 .05
[1] 2uy5.a .03 .03 .06
0
.02
[1] 4txe.a .04 .03 .05 .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
2uy2.a
2uy3.a
2uy4.a
2uy5.a
4txe.a
[1] 2uy2.a
0
1.0 1.0 0.2 0.4
[1] 2uy3.a 1.0
0
0.2 1.0 0.8
[1] 2uy4.a 1.0 0.2
0
1.0 0.8
[1] 2uy5.a 0.2 1.0 1.0
0
0.4
[1] 4txe.a 0.4 0.8 0.8 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

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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
2uy2.a
2uy3.a
2uy4.a
2uy5.a
4txe.a
[1] 2uy2.a
0
1.1 1.2 0.6 0.6
[1] 2uy3.a 1.1
0
0.2 1.0 0.9
[1] 2uy4.a 1.2 0.2
0
1.1 0.9
[1] 2uy5.a 0.6 1.0 1.1
0
0.5
[1] 4txe.a 0.6 0.9 0.9 0.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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