Receptor
PDB id Resolution Class Description Source Keywords
2O2C 1.58 Å EC: 5.3.1.9 CRYSTAL STRUCTURE OF PHOSPHOGLUCOSE ISOMERASE FROM T. BRUCEI CONTAINING GLUCOSE-6-PHOSPHATE IN THE ACTIVE SITE TRYPANOSOMA BRUCEI BRUCEI DIMER ISOMERASE
Ref.: CRYSTAL STRUCTURE OF PHOSPHOGLUCOSE ISOMERASE FROM TRYPANOSOMA BRUCEI COMPLEXED WITH GLUCOSE-6-PHOSPHA A RESOLUTION PROTEINS V. 74 72 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G6Q A:5001;
B:5002;
C:5003;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
260.136 C6 H13 O9 P C([C@...
GOL A:7001;
A:7005;
B:7002;
B:7004;
B:7006;
C:7003;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2O2C 1.58 Å EC: 5.3.1.9 CRYSTAL STRUCTURE OF PHOSPHOGLUCOSE ISOMERASE FROM T. BRUCEI CONTAINING GLUCOSE-6-PHOSPHATE IN THE ACTIVE SITE TRYPANOSOMA BRUCEI BRUCEI DIMER ISOMERASE
Ref.: CRYSTAL STRUCTURE OF PHOSPHOGLUCOSE ISOMERASE FROM TRYPANOSOMA BRUCEI COMPLEXED WITH GLUCOSE-6-PHOSPHA A RESOLUTION PROTEINS V. 74 72 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2O2C - G6Q C6 H13 O9 P C([C@H]([C....
2 2O2D - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2O2C - G6Q C6 H13 O9 P C([C@H]([C....
2 2O2D - CIT C6 H8 O7 C(C(=O)O)C....
3 1T10 - F6P C6 H13 O9 P C([C@@H]1[....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2O2C - G6Q C6 H13 O9 P C([C@H]([C....
2 2O2D - CIT C6 H8 O7 C(C(=O)O)C....
3 2CXS - F6P C6 H13 O9 P C([C@@H]1[....
4 2CXR - 6PG C6 H13 O10 P C([C@H]([C....
5 2CXQ - S6P C6 H15 O9 P C([C@@H]([....
6 2CXO - DER C4 H9 O8 P C([C@@H]([....
7 2CXT - F6P C6 H13 O9 P C([C@@H]1[....
8 2CXP - A5P C5 H13 O8 P C([C@H]([C....
9 1U0G - E4P C4 H9 O7 P C([C@H]([C....
10 1U0F - G6P C6 H13 O9 P C([C@@H]1[....
11 1T10 - F6P C6 H13 O9 P C([C@@H]1[....
12 1G98 Ki = 2 uM PA5 C5 H11 O9 P C([C@H]([C....
13 1KOJ Ki = 0.2 uM PAN C5 H12 N O9 P C([C@H]([C....
14 1IRI - E4P C4 H9 O7 P C([C@H]([C....
15 1XTB - S6P C6 H15 O9 P C([C@@H]([....
16 1HOX - F6P C6 H13 O9 P C([C@@H]1[....
17 1DQR Ki = 43 uM 6PG C6 H13 O10 P C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: G6Q; Similar ligands found: 39
No: Ligand ECFP6 Tc MDL keys Tc
1 G6Q 1 1
2 R5P 0.722222 1
3 R52 0.722222 1
4 GOS 0.666667 0.941176
5 M2P 0.666667 0.941176
6 S6P 0.621622 0.885714
7 E4P 0.611111 0.939394
8 AGP 0.52381 0.72093
9 M6R 0.52381 0.72093
10 LRY 0.520833 0.767442
11 DX5 0.512821 0.861111
12 A5P 0.512821 0.861111
13 LX1 0.512821 0.885714
14 LXP 0.512821 0.861111
15 6PG 0.511628 0.970588
16 LG6 0.511628 0.970588
17 PA5 0.5 0.970588
18 R10 0.5 0.970588
19 H4P 0.489362 0.744186
20 I22 0.488889 0.942857
21 KD0 0.478261 0.970588
22 DG6 0.47619 0.837838
23 TX4 0.47619 0.673913
24 HG3 0.472222 0.852941
25 PAI 0.45098 0.727273
26 F6R 0.444444 0.942857
27 TG6 0.444444 0.942857
28 G3H 0.435897 0.909091
29 FQ8 0.434783 0.888889
30 P6T 0.425532 0.970588
31 P6F 0.425532 0.970588
32 2FP 0.425532 0.970588
33 PAN 0.425532 0.717391
34 9C2 0.416667 0.702128
35 1NT 0.415094 0.970588
36 5SP 0.4 0.916667
37 52L 0.4 0.733333
38 HMS 0.4 0.916667
39 5RP 0.4 0.916667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2O2C; Ligand: G6Q; 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: 2o2c.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2O2C; Ligand: G6Q; 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: 2o2c.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2O2C; Ligand: G6Q; 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: 2o2c.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2O2C; Ligand: G6Q; 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: 2o2c.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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