Receptor
PDB id Resolution Class Description Source Keywords
5ME4 1.52 Å NON-ENZYME: TRANSPORT THE STRUCTURE OF HTXB FROM PSEUDOMONAS STUTZERI IN COMPLEX W HYPOPHOSPHITE TO 1.52 A RESOLUTION PSEUDOMONAS STUTZERI ABC-TRANSPORTER PERIPLAMIC BINDING PROTEIN PHOSPHITE HYPOPHOSPHITE TRANSPORT PROTEIN
Ref.: THE MOLECULAR BASIS OF PHOSPHITE AND HYPOPHOSPHITE RECOGNITION BY ABC-TRANSPORTERS. NAT COMMUN V. 8 1746 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HP4 A:302;
A:301;
 Invalid;
Valid;
 none;
none;
 submit data
64.988 H2 O2 P [O-][...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ME4 1.52 Å NON-ENZYME: TRANSPORT THE STRUCTURE OF HTXB FROM PSEUDOMONAS STUTZERI IN COMPLEX W HYPOPHOSPHITE TO 1.52 A RESOLUTION PSEUDOMONAS STUTZERI ABC-TRANSPORTER PERIPLAMIC BINDING PROTEIN PHOSPHITE HYPOPHOSPHITE TRANSPORT PROTEIN
Ref.: THE MOLECULAR BASIS OF PHOSPHITE AND HYPOPHOSPHITE RECOGNITION BY ABC-TRANSPORTERS. NAT COMMUN V. 8 1746 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 5ME4 - HP4 H2 O2 P [O-][PH2]=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 5ME4 - HP4 H2 O2 P [O-][PH2]=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 5ME4 - HP4 H2 O2 P [O-][PH2]=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HP4; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HP4 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: HP4; Similar ligands found: 24
No: Ligand Similarity coefficient
1 SO2 1.0000
2 BBX 0.9942
3 MSM 0.9935
4 N2O 0.9915
5 QPT 0.9790
6 EDO 0.9528
7 GLY 0.9410
8 BRJ 0.9313
9 NOE 0.9276
10 OSM 0.9272
11 AXO 0.9173
12 ACM 0.9074
13 SEY 0.9023
14 ACT 0.9022
15 CB0 0.8988
16 AF3 0.8933
17 DCE 0.8916
18 78T 0.8860
19 2PO 0.8850
20 IPA 0.8830
21 BEF 0.8810
22 KCS 0.8807
23 3BR 0.8703
24 BMM 0.8680
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5ME4; Ligand: HP4; 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: 5me4.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5ME4; Ligand: HP4; 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: 5me4.bio1) has 3 residues
No: Leader PDB Ligand Sequence Similarity
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