Receptor
PDB id Resolution Class Description Source Keywords
2GC2 2.1 Å EC: 5.3.1.9 THE CRYSTAL STRUCTURE OF PHOSPHOGLUCOSE ISOMERASE FROM PYROC FURIOSUS IN COMPLEX WITH FRUCTOSE 6-PHOSPHATE AND ZINC PYROCOCCUS FURIOSUS CUPIN PHOSPHOGLUCOSE ISOMERASE FRUCTOSE 6-PHOSPHATE ISOME
Ref.: EVIDENCE SUPPORTING A CIS-ENEDIOL-BASED MECHANISM F PYROCOCCUS FURIOSUS PHOSPHOGLUCOSE ISOMERASE J.MOL.BIOL. V. 358 1353 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
F6R A:501;
B:502;
Valid;
Valid;
none;
none;
submit data
260.136 C6 H13 O9 P C([C@...
ZN A:401;
B:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GC0 2 Å EC: 5.3.1.9 THE CRYSTAL STRUCTURE OF PHOSPHOGLUCOSE ISOMERASE FROM PYROCOCCUS FURIOSUS IN COMPLEX WITH 5-PHOSPHO-D- A RABINONOHYDROXAMATE AND ZINC PYROCOCCUS FURIOSUS CUPIN PHOSPHOGLUCOSE ISOMERASE 5-PHOSPHO-D- ARABINONOHYDROXAMATE
Ref.: EVIDENCE SUPPORTING A CIS-ENEDIOL-BASED MECHANISM FOR PYROCOCCUS FURIOSUS PHOSPHOGLUCOSE ISOMERASE J.MOL.BIOL. V. 358 1353 2006
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1QY4 - 6PG C6 H13 O10 P C([C@H]([C....
2 1X7N - PA5 C5 H11 O9 P C([C@H]([C....
3 1QXR - PA5 C5 H11 O9 P C([C@H]([C....
4 2GC3 - M6P C6 H13 O9 P C([C@@H]1[....
5 1X82 - PA5 C5 H11 O9 P C([C@H]([C....
6 2GC2 - F6R C6 H13 O9 P C([C@H]([C....
7 2GC1 - S6P C6 H15 O9 P C([C@@H]([....
8 2GC0 Ki = 3 uM PAN C5 H12 N O9 P C([C@H]([C....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1QY4 - 6PG C6 H13 O10 P C([C@H]([C....
2 1X7N - PA5 C5 H11 O9 P C([C@H]([C....
3 1QXR - PA5 C5 H11 O9 P C([C@H]([C....
4 2GC3 - M6P C6 H13 O9 P C([C@@H]1[....
5 1X82 - PA5 C5 H11 O9 P C([C@H]([C....
6 2GC2 - F6R C6 H13 O9 P C([C@H]([C....
7 2GC1 - S6P C6 H15 O9 P C([C@@H]([....
8 2GC0 Ki = 3 uM PAN C5 H12 N O9 P C([C@H]([C....
9 1J3R - 6PG C6 H13 O10 P C([C@H]([C....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1QY4 - 6PG C6 H13 O10 P C([C@H]([C....
2 1X7N - PA5 C5 H11 O9 P C([C@H]([C....
3 1QXR - PA5 C5 H11 O9 P C([C@H]([C....
4 2GC3 - M6P C6 H13 O9 P C([C@@H]1[....
5 1X82 - PA5 C5 H11 O9 P C([C@H]([C....
6 2GC2 - F6R C6 H13 O9 P C([C@H]([C....
7 2GC1 - S6P C6 H15 O9 P C([C@@H]([....
8 2GC0 Ki = 3 uM PAN C5 H12 N O9 P C([C@H]([C....
9 1J3R - 6PG C6 H13 O10 P C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: F6R; Similar ligands found: 50
No: Ligand ECFP6 Tc MDL keys Tc
1 TG6 1 1
2 F6R 1 1
3 I22 0.74359 1
4 P6T 0.7 0.971429
5 2FP 0.7 0.971429
6 P6F 0.7 0.971429
7 HMS 0.641026 0.972222
8 PA5 0.641026 0.916667
9 5SP 0.641026 0.972222
10 R10 0.641026 0.916667
11 5RP 0.641026 0.972222
12 PAN 0.581395 0.6875
13 9C2 0.568182 0.673469
14 M2P 0.555556 0.942857
15 GOS 0.555556 0.942857
16 LG6 0.534884 0.916667
17 6PG 0.534884 0.916667
18 SDD 0.5 0.628571
19 PSJ 0.5 0.628571
20 KD0 0.5 0.916667
21 LXP 0.5 0.916667
22 LPK 0.5 0.628571
23 SOL 0.5 0.628571
24 FUD 0.5 0.628571
25 TAG 0.5 0.628571
26 LX1 0.5 0.837838
27 DX5 0.5 0.916667
28 A5P 0.5 0.916667
29 DEZ 0.487805 0.916667
30 DER 0.487805 0.916667
31 S6P 0.487805 0.942857
32 RUB 0.477273 0.916667
33 XBP 0.477273 0.916667
34 DXP 0.47619 0.837838
35 TX4 0.465116 0.645833
36 R5P 0.465116 0.942857
37 DG6 0.465116 0.891892
38 R52 0.465116 0.942857
39 HG3 0.459459 0.805556
40 52L 0.44898 0.702128
41 AGP 0.444444 0.767442
42 RES 0.444444 0.6875
43 M6R 0.444444 0.767442
44 G6Q 0.444444 0.942857
45 4TP 0.431818 0.767442
46 FQ8 0.425532 0.944444
47 LRY 0.423077 0.733333
48 H4P 0.42 0.790698
49 1NT 0.407407 0.916667
50 E4P 0.404762 0.885714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GC0; Ligand: PAN; 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: 2gc0.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2GC0; Ligand: PAN; 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: 2gc0.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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