Receptor
PDB id Resolution Class Description Source Keywords
2WF5 1.3 Å EC: 5.4.2.6 STRUCTURE OF BETA-PHOSPHOGLUCOMUTASE INHIBITED WITH GLUCOSE- PHOSPHATE AND TRIFLUOROMAGNESATE LACTOCOCCUS LACTIS ISOMERASE PHOSPHOTRANSFERASE MAGNESIUM FLUORIDE TRANSITIOANALOGUE HALOACID DEHALOGENASE SUPERFAMILY
Ref.: ATOMIC DETAILS OF NEAR-TRANSITION STATE CONFORMERS ENZYME PHOSPHORYL TRANSFER REVEALED BY MGF-3 RATHER PHOSPHORANES. PROC. NATL. ACAD. SCI. V. 107 4555 2010 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BG6 MGF A:1831;
 Valid;
 none;
 submit data
n/a n/a
MG A:2801;
A:2833;
 Part of Protein;
Part of Protein;
 none;
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: BG6 MGF; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: BG6 MGF; Similar ligands found: 10
No: Ligand Similarity coefficient
1 BG6 MGF 1.0000
2 BG6 0.9998
3 G6P 0.9939
4 MGF G6P 0.9917
5 G6P MGF 0.9855
6 G16 0.9834
7 4R1 0.9643
8 FBP 0.8805
9 AHG 0.8765
10 1CE 0.8645
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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