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1A12_SOLLC_11_438

1-aminocyclopropane-1-carboxylate synthase 2 [Class-I pyridoxal-phosphate-dependent aminotransferase family]

Composition of the binding site

Protein chains monomer
A1 (1A12_SOLLC):53, 54, 152, 154, 157, 278, 41253, 54, 152, 154, 157, 278, 412

Full PDB list

1iax, 1iay

Pocket contact map

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PDB.ch
   
ligand
A1
L
5
3
A
5
4
Y
1
5
2
A
1
5
4
R
1
5
7
K
2
7
8
R
4
1
2
[1]1iax.a none . . . . . . .
[1]1iay.a avg11 . . . . . . .

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
L
5
3
A
5
4
Y
1
5
2
A
1
5
4
R
1
5
7
K
2
7
8
R
4
1
2
[1]1iax.a . . . . . . .
[1]1iay.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
1iax.a is apo
1iay.a:avg
[1] 1iax.a
-
0
[1] 1iay.a -
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
1iax.a
1iay.a
[1] 1iax.a
0
0
[1] 1iay.a 0
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.2 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
1iax.a
1iay.a
[1] 1iax.a
0
0.3
[1] 1iay.a 0.3
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.1 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
1iax.a
1iay.a
[1] 1iax.a
0
0.5
[1] 1iay.a 0.5
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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