Receptor
PDB id Resolution Class Description Source Keywords
5LQ8 1.52 Å NON-ENZYME: BINDING 1.52 A RESOLUTION STRUCTURE OF PHND1 FROM PROCHLOROCOCCUS MA 9301) IN COMPLEX WITH METHYLPHOSPHONATE PROCHLOROCOCCUS MARINUS STR. MIT 9301 ABC-TRANSPORTER METHYLPHOSPHONATE PROCHLOROCOCCUS PERIPLABINDING 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
GB A:402;
A:401;
Valid;
Valid;
none;
none;
Kd = 108.8 uM
96.022 C H5 O3 P CP(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5LQ8 1.52 Å NON-ENZYME: BINDING 1.52 A RESOLUTION STRUCTURE OF PHND1 FROM PROCHLOROCOCCUS MA 9301) IN COMPLEX WITH METHYLPHOSPHONATE PROCHLOROCOCCUS MARINUS STR. MIT 9301 ABC-TRANSPORTER METHYLPHOSPHONATE PROCHLOROCOCCUS PERIPLABINDING 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 552 families.
1 5LQ8 Kd = 108.8 uM GB C H5 O3 P CP(=O)(O)O
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 5LQ8 Kd = 108.8 uM GB C H5 O3 P CP(=O)(O)O
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 5LQ8 Kd = 108.8 uM GB C H5 O3 P CP(=O)(O)O
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GB; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GB 1 1
2 PI 0.454545 0.7
3 TS6 0.454545 0.727273
4 2HP 0.454545 0.8
5 911 0.4 0.68
Similar Ligands (3D)
Ligand no: 1; Ligand: GB; Similar ligands found: 60
No: Ligand Similarity coefficient
1 2PA 1.0000
2 BF4 1.0000
3 PO4 1.0000
4 TMO 1.0000
5 PEJ 1.0000
6 TBU 1.0000
7 03S 1.0000
8 ART 1.0000
9 FUS 1.0000
10 FPO 1.0000
11 WO6 0.9986
12 9XN 0.9918
13 TB0 0.9574
14 VSO 0.9493
15 TAN 0.9492
16 HSW 0.9466
17 CNH 0.9432
18 8FH 0.9416
19 MMQ 0.9345
20 ETF 0.9305
21 LAC 0.9296
22 2A3 0.9243
23 J3K 0.9224
24 BEF 0.9200
25 IPA 0.9196
26 2PO 0.9195
27 78T 0.9195
28 PPI 0.9134
29 GOL 0.9117
30 FAH 0.9113
31 GXV 0.9058
32 PYR 0.9055
33 HVB 0.9048
34 GOA 0.9041
35 F50 0.8998
36 ACM 0.8968
37 ACT 0.8953
38 MCH 0.8949
39 SEY 0.8947
40 GLY 0.8936
41 AF3 0.8929
42 NIE 0.8924
43 AKR 0.8920
44 HBS 0.8903
45 R3W 0.8898
46 F3V 0.8869
47 TSZ 0.8852
48 ALA 0.8818
49 HBR 0.8816
50 GLV 0.8808
51 ALQ 0.8793
52 OXM 0.8766
53 2OP 0.8762
54 KCS 0.8756
55 DAL 0.8702
56 HAE 0.8702
57 DZZ 0.8657
58 VN4 0.8618
59 2A1 0.8605
60 TAY 0.8588
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5LQ8; Ligand: GB; 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: 5lq8.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5LQ8; Ligand: GB; 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: 5lq8.bio1) has 2 residues
No: Leader PDB Ligand Sequence Similarity
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