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CUTI1_COLGL_24_224

Cutinase 1 [Cutinase family]

Composition of the binding site

Protein chains monomer
A1 (CUTI1_COLGL):56, 57, 97, 100, 101, 135:137, 166, 193, 198:20256, 57, 97, 100, 101, 135:137, 166, 193, 198:202

Full PDB list

3dcn, 3dd5, 3dea

Pocket contact map

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PDB.ch
   
ligand
A1
A
5
6
S
5
7
N
1
0
0
F
1
0
1
S
1
3
6
Q
1
3
7
T
1
6
6
V
1
9
3
I
2
0
0
[1]3dd5.a dep8 . . . . * . . . .
[1]3dea.b hzh16 . . . . . . . . .
[2]3dcn.a none . . . . . . . . .

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

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PDB.ch
A1
A
5
6
S
5
7
L
9
7
N
1
0
0
F
1
0
1
Y
1
3
5
S
1
3
6
Q
1
3
7
T
1
6
6
V
1
9
3
L
1
9
8
F
1
9
9
I
2
0
0
L
2
0
1
P
2
0
2
[1]3dd5.a . . . . . . * . . . . * * . .
[1]3dea.b . . . . . . . . . . . . . - -
[2]3dcn.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
3dd5.a:dep
3dea.b:hzh
3dcn.a is apo
[1] 3dd5.a
0.4
2.7 -
[1] 3dea.b 0.4
0.5
-
[2] 3dcn.a 6.0 8.0
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 clusters)

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
3dd5.a
3dea.b
3dcn.a
[1] 3dd5.a
0
.17 .47
[1] 3dea.b .17
0
.60
[2] 3dcn.a .47 .60
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 3.7 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
3dd5.a
3dea.b
3dcn.a
[1] 3dd5.a
0
3.7 2.3
[1] 3dea.b 3.7
0
3.4
[2] 3dcn.a 2.3 3.4
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 2.3 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
3dd5.a
3dea.b
3dcn.a
[1] 3dd5.a
0
4.1 3.7
[1] 3dea.b 4.1
0
4.7
[2] 3dcn.a 3.7 4.7
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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