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HUTI_AGRFC_1_419

Imidazolonepropionase [Metallo-dependent hydrolases superfamily. HutI family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (HUTI_AGRFC):R: Substrate binding (331, 333)
86, 93, 116, 156, 189, 226, 230, 334
86, 93, 116, 156, 189, 226, 230, 331, 333, 334
Metals (Me):Fe

Full PDB list

2gok, 2puz (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1 Me
H
8
6
R
9
3
I
1
1
6
Y
1
5
6
H
1
8
9
F
2
2
6
I
2
3
0
N
3
3
1
G
3
3
3
T
3
3
4
[1]2puz.a none . . . . . . . . . . Fe
[1]2puz.b nig12 . . . . . . . . . . Fe

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 Me
H
8
6
R
9
3
I
1
1
6
Y
1
5
6
H
1
8
9
F
2
2
6
I
2
3
0
N
3
3
1
G
3
3
3
T
3
3
4
[1]2puz.a . . . . . . . . . . Fe
[1]2puz.b . . . . . . . . . . Fe

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
2puz.a is apo
2puz.b:nig
[1] 2puz.a
-
0.1
[1] 2puz.b -
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
2puz.a
2puz.b
[1] 2puz.a
0
.01
[1] 2puz.b .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.1 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
2puz.a
2puz.b
[1] 2puz.a
0
0.2
[1] 2puz.b 0.2
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
2puz.a
2puz.b
[1] 2puz.a
0
0.2
[1] 2puz.b 0.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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