Receptor
PDB id Resolution Class Description Source Keywords
3VNJ 2.08 Å EC: 5.-.-.- CRYSTAL STRUCTURES OF D-PSICOSE 3-EPIMERASE WITH D-PSICOSE F CLOSTRIDIUM CELLULOLYTICUM H10 CLOSTRIDIUM CELLULOLYTICUM D-PSICOSE 3-EPIMERASE KETOHEXOSE ISOMERASE
Ref.: CRYSTAL STRUCTURES OF D-PSICOSE 3-EPIMERASE FROM CL CELLULOLYTICUM H10 AND ITS COMPLEX WITH KETOHEXOSE PROTEIN CELL V. 3 123 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:302;
B:302;
C:302;
D:302;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
PSJ A:301;
B:301;
C:301;
D:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VNM 2.12 Å EC: 5.-.-.- CRYSTAL STRUCTURES OF D-PSICOSE 3-EPIMERASE WITH D-SORBOSE F CLOSTRIDIUM CELLULOLYTICUM H10 CLOSTRIDIUM CELLULOLYTICUM D-PSICOSE 3-EPIMERASECLOSTRIDIUM CELLULOLYTICUM H10 KETOHEBARREL ISOMERASE
Ref.: CRYSTAL STRUCTURES OF D-PSICOSE 3-EPIMERASE FROM CL CELLULOLYTICUM H10 AND ITS COMPLEX WITH KETOHEXOSE PROTEIN CELL V. 3 123 2012
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 3VNJ - PSJ C6 H12 O6 C([C@H]([C....
2 3VNM - SDD C6 H12 O6 C([C@H]([C....
3 3VNK - FUD C6 H12 O6 C([C@H]([C....
4 3VNL - TAG C6 H12 O6 C([C@H]([C....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 3VNJ - PSJ C6 H12 O6 C([C@H]([C....
2 3VNM - SDD C6 H12 O6 C([C@H]([C....
3 3VNK - FUD C6 H12 O6 C([C@H]([C....
4 3VNL - TAG C6 H12 O6 C([C@H]([C....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3VNJ - PSJ C6 H12 O6 C([C@H]([C....
2 3VNM - SDD C6 H12 O6 C([C@H]([C....
3 3VNK - FUD C6 H12 O6 C([C@H]([C....
4 3VNL - TAG C6 H12 O6 C([C@H]([C....
5 2QUN - FUD C6 H12 O6 C([C@H]([C....
6 2QUM - TAG C6 H12 O6 C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PSJ; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 SDD 1 1
2 PSJ 1 1
3 FUD 1 1
4 SOL 1 1
5 LPK 1 1
6 TAG 1 1
7 QDK 0.551724 0.956522
8 RBL 0.551724 0.956522
9 XUL 0.551724 0.956522
10 F6R 0.5 0.628571
11 TG6 0.5 0.628571
12 3MF 0.432432 0.846154
13 5FX 0.424242 0.88
14 LER 0.413793 0.956522
15 GCO 0.411765 0.913043
16 CS2 0.411765 0.913043
17 I22 0.404762 0.628571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VNM; Ligand: SDD; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 3vnm.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 5H1W LER 42.4138
Pocket No.: 2; Query (leader) PDB : 3VNM; Ligand: SDD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3vnm.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3VNM; Ligand: SDD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3vnm.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3VNM; Ligand: SDD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3vnm.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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