Receptor
PDB id Resolution Class Description Source Keywords
2F90 2 Å EC: 5.4.2.4 CRYSTAL STRUCTURE OF BISPHOSPHOGLYCERATE MUTASE IN COMPLEX WITH 3-PHOSPHOGLYCERATE AND ALF4- HOMO SAPIENS BISPHOSPHOGLYCERATE MUTASE ISOMERASE
Ref.: SEEING THE PROCESS OF HISTIDINE PHOSPHORYLATION IN HUMAN BISPHOSPHOGLYCERATE MUTASE J.BIOL.CHEM. V. 281 39642 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALF 3PG A:400;
B:401;
 Valid;
Valid;
 none;
none;
 submit data
284.998 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HHJ 1.5 Å EC: 5.4.2.4 HUMAN BISPHOSPHOGLYCERATE MUTASE COMPLEXED WITH 2,3- BISPHOSPHOGLYCERATE (15 DAYS) HOMO SAPIENS BISPHOSPHOGLYCERATE MUTASE 23-BISPHOSPHOGLYCERATE ISOMERA
Ref.: SEEING THE PROCESS OF HISTIDINE PHOSPHORYLATION IN BISPHOSPHOGLYCERATE MUTASE. J.BIOL.CHEM. V. 281 39642 2006
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2HHJ - DG2 C3 H8 O10 P2 C([C@H](C(....
2 2F90 - ALF 3PG n/a n/a
3 2A9J - 3PG C3 H7 O7 P C([C@H](C(....
4 2H4X - 3PG C3 H7 O7 P C([C@H](C(....
5 2H4Z - DG2 C3 H8 O10 P2 C([C@H](C(....
6 2H52 - 3PG C3 H7 O7 P C([C@H](C(....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2HHJ - DG2 C3 H8 O10 P2 C([C@H](C(....
2 2F90 - ALF 3PG n/a n/a
3 2A9J - 3PG C3 H7 O7 P C([C@H](C(....
4 2H4X - 3PG C3 H7 O7 P C([C@H](C(....
5 2H4Z - DG2 C3 H8 O10 P2 C([C@H](C(....
6 2H52 - 3PG C3 H7 O7 P C([C@H](C(....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2HHJ - DG2 C3 H8 O10 P2 C([C@H](C(....
2 2F90 - ALF 3PG n/a n/a
3 2A9J - 3PG C3 H7 O7 P C([C@H](C(....
4 2H4X - 3PG C3 H7 O7 P C([C@H](C(....
5 2H4Z - DG2 C3 H8 O10 P2 C([C@H](C(....
6 2H52 - 3PG C3 H7 O7 P C([C@H](C(....
7 3GP3 - SEP C3 H8 N O6 P C([C@@H](C....
8 3LNT - MLI C3 H2 O4 C(C(=O)[O-....
9 1QHF - 3PG C3 H7 O7 P C([C@H](C(....
10 1BQ4 Ki = 6 uM BHC C12 H6 O12 c1(c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALF 3PG; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ALF 3PG 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: ALF 3PG; Similar ligands found: 4
No: Ligand Similarity coefficient
1 DG2 0.9551
2 G01 0.9118
3 G88 0.8689
4 HCA 0.8657
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HHJ; Ligand: 3PG; 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: 2hhj.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2HHJ; Ligand: DG2; 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: 2hhj.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2HHJ; Ligand: 3PG; 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: 2hhj.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2HHJ; Ligand: DG2; 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: 2hhj.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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