Receptor
PDB id Resolution Class Description Source Keywords
1YNS 1.7 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF HUMAN ENOLASE-PHOSPHATASE E1 AND ITS COMPLEX WITH A SUBSTRATE ANALOG HOMO SAPIENS HYDROLASE FOLD
Ref.: CRYSTAL STRUCTURE OF HUMAN E1 ENZYME AND ITS COMPLEX WITH A SUBSTRATE ANALOG REVEALS THE MECHANISM OF ITS PHOSPHATASE/ENOLASE J.MOL.BIOL. V. 348 917 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HPO A:1261;
Valid;
none;
submit data
194.165 C7 H15 O4 P CCCCC...
MG A:1258;
A:1259;
A:1260;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YNS 1.7 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF HUMAN ENOLASE-PHOSPHATASE E1 AND ITS COMPLEX WITH A SUBSTRATE ANALOG HOMO SAPIENS HYDROLASE FOLD
Ref.: CRYSTAL STRUCTURE OF HUMAN E1 ENZYME AND ITS COMPLEX WITH A SUBSTRATE ANALOG REVEALS THE MECHANISM OF ITS PHOSPHATASE/ENOLASE J.MOL.BIOL. V. 348 917 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 1YNS - HPO C7 H15 O4 P CCCCCC(=O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 1YNS - HPO C7 H15 O4 P CCCCCC(=O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 1YNS - HPO C7 H15 O4 P CCCCCC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HPO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HPO 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YNS; Ligand: HPO; Similar sites found: 20
This union binding pocket(no: 1) in the query (biounit: 1yns.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1L5Y BEF 0.003477 0.43242 None
2 1S20 TLA 0.002985 0.42416 1.91571
3 4HA9 NDP 0.008165 0.4342 2.00803
4 3D3W NAP 0.04843 0.40656 2.45902
5 5KOD AMP 0.02027 0.40142 2.68199
6 4IF4 BEF 0.0007932 0.45885 2.88462
7 2FKA BEF 0.003463 0.40448 3.10078
8 3FGZ BEF 0.008193 0.40401 3.125
9 5AXH GLC GLC GLC GLC 0.02484 0.40669 4.21456
10 5MY8 RXZ 0.03712 0.40209 4.21456
11 4DV8 0LX 0.01685 0.42709 5.74713
12 4XDZ NDP 0.03397 0.40271 6.51341
13 3L8G GMB 0.002385 0.41435 6.95187
14 2P69 PLP 0.001097 0.43887 7.27969
15 2RBK VN4 0.0005922 0.46893 8.81226
16 3EF0 ALF 0.003411 0.43514 9.1954
17 3F6R FMN 0.02233 0.40548 11.4865
18 2YN4 39J 0.0007574 0.46073 17.3729
19 5CXI 5TW 0.01799 0.40572 17.734
20 1QH9 LAC 0.001002 0.45039 27.5862
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