Receptor
PDB id Resolution Class Description Source Keywords
5LV1 2.12 Å NON-ENZYME: OTHER 2.12 A RESOLUTION STRUCTURE OF PTXB FROM PROCHLOROCOCCUS MAR 9301) IN COMPLEX WITH PHOSPHITE PROCHLOROCOCCUS MARINUS (STRAIN MIT 93ORGANISM_TAXID: 167546 ABC-TRANSPORTER PHOSPHITE PROCHLOROCOCCUS PERIPLASMIC BINPROTEIN
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
78T C:301;
A:301;
B:301;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
80.988 H2 O3 P OP(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5LV1 2.12 Å NON-ENZYME: OTHER 2.12 A RESOLUTION STRUCTURE OF PTXB FROM PROCHLOROCOCCUS MAR 9301) IN COMPLEX WITH PHOSPHITE PROCHLOROCOCCUS MARINUS (STRAIN MIT 93ORGANISM_TAXID: 167546 ABC-TRANSPORTER PHOSPHITE PROCHLOROCOCCUS PERIPLASMIC BINPROTEIN
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 1610 families.
1 5LV1 - 78T H2 O3 P OP(=O)[O-]
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 5O37 Kd = 40.64 uM GB C H5 O3 P CP(=O)(O)O
2 5O2J Kd = 0.24 uM 2PO H O3 P [O-]P(=O)[....
3 5JVB Kd = 0.17 uM 2PO H O3 P [O-]P(=O)[....
4 5LQ1 Kd = 30.63 uM GB C H5 O3 P CP(=O)(O)O
5 5LV1 - 78T H2 O3 P OP(=O)[O-]
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 5O37 Kd = 40.64 uM GB C H5 O3 P CP(=O)(O)O
2 5O2J Kd = 0.24 uM 2PO H O3 P [O-]P(=O)[....
3 5JVB Kd = 0.17 uM 2PO H O3 P [O-]P(=O)[....
4 5LQ1 Kd = 30.63 uM GB C H5 O3 P CP(=O)(O)O
5 5LV1 - 78T H2 O3 P OP(=O)[O-]
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 78T; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 78T 1 1
2 2PO 0.555556 0.8125
3 PHS 0.555556 0.882353
Similar Ligands (3D)
Ligand no: 1; Ligand: 78T; Similar ligands found: 71
No: Ligand Similarity coefficient
1 BEF 1.0000
2 IPA 1.0000
3 AF3 1.0000
4 VN4 0.9917
5 KCS 0.9900
6 SEY 0.9890
7 ACM 0.9860
8 ACT 0.9810
9 MCH 0.9725
10 GOA 0.9570
11 FAH 0.9553
12 2A3 0.9541
13 PPI 0.9489
14 GLV 0.9383
15 GLY 0.9358
16 F50 0.9355
17 HAE 0.9341
18 ALA 0.9338
19 2A1 0.9329
20 03S 0.9312
21 HVB 0.9305
22 TSZ 0.9280
23 F3V 0.9280
24 R3W 0.9238
25 TBU 0.9229
26 61G 0.9220
27 CP2 0.9212
28 2HP 0.9210
29 GB 0.9195
30 NIE 0.9192
31 AKR 0.9192
32 TMO 0.9180
33 J3K 0.9179
34 MGX 0.9140
35 FPO 0.9131
36 AGU 0.9120
37 NHY 0.9110
38 1BP 0.9098
39 2PA 0.9089
40 BRP 0.9076
41 BRJ 0.9072
42 PO4 0.9068
43 NMU 0.9060
44 ART 0.9058
45 BF4 0.9047
46 WO6 0.9044
47 FUS 0.9020
48 BXA 0.8983
49 EDO 0.8977
50 TCV 0.8970
51 PEJ 0.8970
52 ATO 0.8965
53 ALF 0.8921
54 9XN 0.8893
55 SO2 0.8890
56 NOE 0.8879
57 OSM 0.8870
58 HP4 0.8860
59 GXV 0.8836
60 MSM 0.8830
61 IMD 0.8780
62 HUH 0.8770
63 PZO 0.8760
64 PXO 0.8715
65 GOL 0.8710
66 ABA 0.8704
67 TRI 0.8700
68 CB0 0.8664
69 AXO 0.8640
70 3GR 0.8634
71 QPT 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5LV1; Ligand: 78T; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5lv1.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3P7I P7I 30.3571
Pocket No.: 2; Query (leader) PDB : 5LV1; Ligand: 78T; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 5lv1.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 3P7I P7I 30.3571
Pocket No.: 3; Query (leader) PDB : 5LV1; Ligand: 78T; 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: 5lv1.bio3) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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