Receptor
PDB id Resolution Class Description Source Keywords
1O8B 1.25 Å EC: 5.3.1.6 STRUCTURE OF ESCHERICHIA COLI RIBOSE-5-PHOSPHATE ISOMERASE, RPIA, COMPLEXED WITH ARABINOSE-5-PHOSPHATE. ESCHERICHIA COLI ISOMERASE RIBOSE PHOSPHATE ISOMERASE RPIA PSI PROTEIN STINITIATIVE MCSG MIDWEST CENTER FOR STRUCTURAL GENOMICS
Ref.: STRUCTURE OF ESCHERICHIA COLI RIBOSE-5-PHOSPHATE IS A UBIQUITOUS ENZYME OF THE PENTOSE PHOSPHATE PATHWA THE CALVIN CYCLE STRUCTURE V. 11 31 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ABF A:1269;
B:1269;
Valid;
Valid;
none;
none;
Ki = 2.1 mM
230.11 C5 H11 O8 P C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1O8B 1.25 Å EC: 5.3.1.6 STRUCTURE OF ESCHERICHIA COLI RIBOSE-5-PHOSPHATE ISOMERASE, RPIA, COMPLEXED WITH ARABINOSE-5-PHOSPHATE. ESCHERICHIA COLI ISOMERASE RIBOSE PHOSPHATE ISOMERASE RPIA PSI PROTEIN STINITIATIVE MCSG MIDWEST CENTER FOR STRUCTURAL GENOMICS
Ref.: STRUCTURE OF ESCHERICHIA COLI RIBOSE-5-PHOSPHATE IS A UBIQUITOUS ENZYME OF THE PENTOSE PHOSPHATE PATHWA THE CALVIN CYCLE STRUCTURE V. 11 31 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1O8B Ki = 2.1 mM ABF C5 H11 O8 P C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1O8B Ki = 2.1 mM ABF C5 H11 O8 P C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1O8B Ki = 2.1 mM ABF C5 H11 O8 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ABF; Similar ligands found: 43
No: Ligand ECFP6 Tc MDL keys Tc
1 ABF 1 1
2 HSX 1 1
3 RP5 1 1
4 A6P 0.8 0.902439
5 M6P 0.8 0.902439
6 G6P 0.8 0.902439
7 BGP 0.8 0.902439
8 M6D 0.8 0.902439
9 BG6 0.8 0.902439
10 AHG 0.676471 0.880952
11 GLP 0.634146 0.755102
12 4R1 0.634146 0.755102
13 RF5 0.615385 0.883721
14 50A 0.615385 0.883721
15 GRF 0.589744 0.76
16 NNG 0.565217 0.685185
17 16G 0.553191 0.685185
18 4QY 0.553191 0.685185
19 BMX 0.553191 0.685185
20 FDQ 0.547619 0.860465
21 RI2 0.534884 0.95
22 XYT 0.5 0.822222
23 PRP 0.5 0.975
24 G16 0.5 0.860465
25 D6G 0.5 0.860465
26 1FT 0.490909 0.770833
27 N 0.47619 0.860465
28 PPC 0.469388 0.906977
29 T6P 0.469388 0.822222
30 Z6J 0.441176 0.675
31 RIB 0.441176 0.675
32 FUB 0.441176 0.675
33 32O 0.441176 0.675
34 AHR 0.441176 0.675
35 P3M 0.440678 0.822222
36 IRN 0.425926 0.606557
37 FGR 0.410714 0.655172
38 FUB AHR 0.404255 0.690476
39 F6P 0.404255 0.906977
40 TA6 0.404255 0.906977
41 AHR AHR 0.404255 0.690476
42 ALX 0.4 0.880952
43 BNX 0.4 0.880952
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1O8B; Ligand: ABF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1o8b.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1O8B; Ligand: ABF; 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: 1o8b.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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