Receptor
PDB id Resolution Class Description Source Keywords
1O03 1.4 Å EC: 5.4.2.6 STRUCTURE OF PENTAVALENT PHOSPHOROUS INTERMEDIATE OF AN ENZY CATALYZED PHOSPHORYL TRANSFER REACTION OBSERVED ON COCRYSTAW ITH GLUCOSE 6-PHOSPHATE LACTOCOCCUS LACTIS HALOACID DEHALOGENASE SUPERFAMILY PHOSPHOTRANSFERASE PENTAPHOSPHATE INTERMEDIATE ISOMERASE
Ref.: THE PENTACOVALENT PHOSPHORUS INTERMEDIATE OF A PHOS TRANSFER REACTION. SCIENCE V. 299 2067 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G16 A:501;
 Valid;
 none;
 submit data
339.108 C6 H13 O12 P2 C([C@...
MG A:800;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Z4O 1.9 Å EC: 5.4.2.6 STRUCTURE OF BETA-PHOSPHOGLUCOMUTASE WITH INHIBITOR BOUND AL GALACTOSE 1-PHOSPHATE LACTOCOCCUS LACTIS ISOMERASE BETA-PHOSPHOGLUCOMUTASE
Ref.: CHEMICAL CONFIRMATION OF A PENTAVALENT PHOSPHORANE COMPLEX WITH BETA-PHOSPHOGLUCOMUTASE J.AM.CHEM.SOC. V. 127 5298 2005
Members (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WF8 - BG6 C6 H13 O9 P C([C@@H]1[....
2 5OLY - G6P MGF n/a n/a
3 2WF9 - BG6 C6 H13 O9 P C([C@@H]1[....
4 4C4R Kd = 1.3 mM YO5 C7 H15 O8 P C([C@@H]1[....
5 6YDM - CIT C6 H8 O7 C(C(=O)O)C....
6 1Z4O Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
7 5OLX - BG6 MGF n/a n/a
8 2WF5 - BG6 MGF n/a n/a
9 4C4S Kd = 0.66 mM GRX C7 H14 F O8 P C([C@@H]1[....
10 6YDJ - BG6 C6 H13 O9 P C([C@@H]1[....
11 4C4T - GRX C7 H14 F O8 P C([C@@H]1[....
12 1O03 - G16 C6 H13 O12 P2 C([C@@H]1[....
13 1Z4N Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WF8 - BG6 C6 H13 O9 P C([C@@H]1[....
2 5OLY - G6P MGF n/a n/a
3 2WF9 - BG6 C6 H13 O9 P C([C@@H]1[....
4 4C4R Kd = 1.3 mM YO5 C7 H15 O8 P C([C@@H]1[....
5 6YDM - CIT C6 H8 O7 C(C(=O)O)C....
6 1Z4O Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
7 5OLX - BG6 MGF n/a n/a
8 2WF5 - BG6 MGF n/a n/a
9 4C4S Kd = 0.66 mM GRX C7 H14 F O8 P C([C@@H]1[....
10 6YDJ - BG6 C6 H13 O9 P C([C@@H]1[....
11 4C4T - GRX C7 H14 F O8 P C([C@@H]1[....
12 1O03 - G16 C6 H13 O12 P2 C([C@@H]1[....
13 1Z4N Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WF8 - BG6 C6 H13 O9 P C([C@@H]1[....
2 5OLY - G6P MGF n/a n/a
3 2WF9 - BG6 C6 H13 O9 P C([C@@H]1[....
4 4C4R Kd = 1.3 mM YO5 C7 H15 O8 P C([C@@H]1[....
5 6YDM - CIT C6 H8 O7 C(C(=O)O)C....
6 1Z4O Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
7 5OLX - BG6 MGF n/a n/a
8 2WF5 - BG6 MGF n/a n/a
9 4C4S Kd = 0.66 mM GRX C7 H14 F O8 P C([C@@H]1[....
10 6YDJ - BG6 C6 H13 O9 P C([C@@H]1[....
11 4C4T - GRX C7 H14 F O8 P C([C@@H]1[....
12 1O03 - G16 C6 H13 O12 P2 C([C@@H]1[....
13 1Z4N Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: G16; Similar ligands found: 35
No: Ligand ECFP6 Tc MDL keys Tc
1 G16 1 1
2 RI2 0.666667 0.860465
3 PRP 0.588235 0.883721
4 PPC 0.588235 0.826087
5 AHG 0.534884 0.8
6 RP5 0.5 0.860465
7 M1P 0.5 0.928571
8 G1P 0.5 0.928571
9 HSX 0.5 0.860465
10 BG6 0.5 0.951219
11 M6D 0.5 0.951219
12 XGP 0.5 0.928571
13 A6P 0.5 0.951219
14 GL1 0.5 0.928571
15 G6P 0.5 0.951219
16 ABF 0.5 0.860465
17 M6P 0.5 0.951219
18 BGP 0.5 0.951219
19 GLC G6P 0.490909 0.844444
20 GRF 0.479167 0.666667
21 JV4 0.46 0.883721
22 MGF G6P 0.454545 0.791667
23 FDQ 0.45098 0.782609
24 RF5 0.44 0.765957
25 50A 0.44 0.765957
26 R1P 0.4375 0.840909
27 GLP 0.433962 0.795918
28 4R1 0.433962 0.795918
29 D6G 0.415094 0.906977
30 16G 0.413793 0.754717
31 BMX 0.413793 0.754717
32 4QY 0.413793 0.754717
33 MAN MAN M6P 0.405797 0.844444
34 BGC XGP 0.403226 0.844444
35 MAN IPD MAN 0.4 0.844444
Similar Ligands (3D)
Ligand no: 1; Ligand: G16; Similar ligands found: 26
No: Ligand Similarity coefficient
1 BG6 MGF 0.9834
2 G6P MGF 0.9809
3 IR8 0.9113
4 FBP 0.9071
5 34L 0.8838
6 74Z 0.8793
7 1CE 0.8787
8 U5A 0.8772
9 JYM 0.8767
10 GT1 0.8767
11 IR9 0.8735
12 GMB 0.8720
13 C1F 0.8701
14 0H5 0.8687
15 26K 0.8673
16 GAR 0.8665
17 695 0.8634
18 PDA 0.8634
19 0JO 0.8634
20 PLI 0.8634
21 GPM 0.8625
22 P1T 0.8621
23 C09 0.8579
24 ML2 0.8537
25 AIR 0.8530
26 WFY 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Z4O; Ligand: GL1; 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: 1z4o.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1Z4O; Ligand: GL1; 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: 1z4o.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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