Receptor
PDB id Resolution Class Description Source Keywords
3ITO 1.9 Å EC: 5.3.1.14 CRYSTAL STRUCTURE OF PSEUDOMONAS STUTZERI L-RHAMNOSE ISOMERASE MUTANT D327N IN COMPLEX WITH D-PSICOSE PSEUDOMONAS STUTZERI BETA/ALPHA BARREL HOMO-TETRAMER METAL-BINDING PROTEIN TIMBARREL ISOMERASE
Ref.: CATALYTIC REACTION MECHANISM OF PSEUDOMONAS STUTZERI L-RHAMNOSE ISOMERASE DEDUCED FROM X-RAY STRUCTURES FEBS J. V. 277 1045 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:501;
A:502;
B:503;
B:504;
C:505;
C:506;
D:507;
D:508;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
PSV A:601;
B:602;
C:603;
D:604;
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
2I56 1.97 Å EC: 5.3.1.14 CRYSTAL STRUCTURE OF L-RHAMNOSE ISOMERASE FROM PSEUDOMONAS STUTZERI WITH L-RHAMNOSE PSEUDOMONAS STUTZERI BETA/ALPHA BARREL TIM BARREL HOMO-TETRAMER METAL-BINDING PROTEIN ISOMERASE
Ref.: THE STRUCTURES OF L-RHAMNOSE ISOMERASE FROM PSEUDOMONAS STUTZERI IN COMPLEXES WITH L-RHAMNOSE AND D-ALLOSE PROVIDE INSIGHTS INTO BROAD SUBSTRATE SPECIFICITY J.MOL.BIOL. V. 365 1505 2007
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2I56 - RNS C6 H12 O5 C[C@@H]([C....
2 3ITT - RNS C6 H12 O5 C[C@@H]([C....
3 3M0Y - RNS C6 H12 O5 C[C@@H]([C....
4 3M0M - AOS C6 H12 O6 C([C@H]([C....
5 2I57 - AOS C6 H12 O6 C([C@H]([C....
6 3M0H - RNS C6 H12 O5 C[C@@H]([C....
7 3ITO - PSV C6 H12 O6 C([C@@H]1[....
8 3M0V - RNS C6 H12 O5 C[C@@H]([C....
9 3ITL - LRH C6 H12 O5 C[C@H]1[C@....
10 3M0X - PSJ C6 H12 O6 C([C@H]([C....
11 3ITV - PSJ C6 H12 O6 C([C@H]([C....
12 3M0L - PSJ C6 H12 O6 C([C@H]([C....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2I56 - RNS C6 H12 O5 C[C@@H]([C....
2 3ITT - RNS C6 H12 O5 C[C@@H]([C....
3 3M0Y - RNS C6 H12 O5 C[C@@H]([C....
4 3M0M - AOS C6 H12 O6 C([C@H]([C....
5 2I57 - AOS C6 H12 O6 C([C@H]([C....
6 3M0H - RNS C6 H12 O5 C[C@@H]([C....
7 3ITO - PSV C6 H12 O6 C([C@@H]1[....
8 3M0V - RNS C6 H12 O5 C[C@@H]([C....
9 3ITL - LRH C6 H12 O5 C[C@H]1[C@....
10 3M0X - PSJ C6 H12 O6 C([C@H]([C....
11 3ITV - PSJ C6 H12 O6 C([C@H]([C....
12 3M0L - PSJ C6 H12 O6 C([C@H]([C....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2I56 - RNS C6 H12 O5 C[C@@H]([C....
2 3ITT - RNS C6 H12 O5 C[C@@H]([C....
3 3M0Y - RNS C6 H12 O5 C[C@@H]([C....
4 3M0M - AOS C6 H12 O6 C([C@H]([C....
5 2I57 - AOS C6 H12 O6 C([C@H]([C....
6 3M0H - RNS C6 H12 O5 C[C@@H]([C....
7 3ITO - PSV C6 H12 O6 C([C@@H]1[....
8 3M0V - RNS C6 H12 O5 C[C@@H]([C....
9 3ITL - LRH C6 H12 O5 C[C@H]1[C@....
10 3M0X - PSJ C6 H12 O6 C([C@H]([C....
11 3ITV - PSJ C6 H12 O6 C([C@H]([C....
12 3M0L - PSJ C6 H12 O6 C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PSV; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 FRU 1 1
2 SF6 1 1
3 LFR 1 1
4 PSV 1 1
5 SF9 1 1
6 F6P 0.564103 0.744186
7 TA6 0.564103 0.744186
8 FRU FRU 0.511111 0.888889
9 LBS 0.511111 0.888889
10 F1X 0.487805 0.744186
11 LRH 0.484848 0.882353
12 0UB 0.479167 0.888889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2I56; Ligand: RNS; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 2i56.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2GYI HYA 10.8808
Pocket No.: 2; Query (leader) PDB : 2I56; Ligand: RNS; 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: 2i56.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2I56; Ligand: RNS; 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: 2i56.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2I56; Ligand: RNS; 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: 2i56.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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