Receptor
PDB id Resolution Class Description Source Keywords
5O2J 1.52 Å NON-ENZYME: TRANSPORT PSEUDOMONAS STUTZERI PTXB IN COMPLEX WITH PHOSPHITE TO 1.52 RESOLUTION PSEUDOMONAS STUTZERI PHOSPHITE ABC TRANSPORTERS MARINE BACTERIA PBP SBP TRANPROTEIN
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
EDO A:302;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
2PO A:301;
 Valid;
 none;
 Kd = 0.24 uM
79.98 H O3 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5O2J 1.52 Å NON-ENZYME: TRANSPORT PSEUDOMONAS STUTZERI PTXB IN COMPLEX WITH PHOSPHITE TO 1.52 RESOLUTION PSEUDOMONAS STUTZERI PHOSPHITE ABC TRANSPORTERS MARINE BACTERIA PBP SBP TRANPROTEIN
Ref.: THE MOLECULAR BASIS OF PHOSPHITE AND HYPOPHOSPHITE RECOGNITION BY ABC-TRANSPORTERS. NAT COMMUN V. 8 1746 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 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)[....
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: 2PO; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 2PO 1 1
2 78T 0.555556 0.8125
3 VXA 0.555556 0.6
Similar Ligands (3D)
Ligand no: 1; Ligand: 2PO; Similar ligands found: 71
No: Ligand Similarity coefficient
1 BEF 1.0000
2 IPA 1.0000
3 AF3 1.0000
4 VN4 0.9972
5 KCS 0.9920
6 SEY 0.9890
7 ACM 0.9890
8 ACT 0.9850
9 MCH 0.9742
10 2A3 0.9541
11 FAH 0.9532
12 GOA 0.9508
13 PPI 0.9503
14 F50 0.9355
15 GLY 0.9353
16 HAE 0.9341
17 GLV 0.9341
18 TMO 0.9327
19 ALA 0.9310
20 NIE 0.9298
21 2A1 0.9294
22 TBU 0.9279
23 2HP 0.9269
24 HVB 0.9267
25 TSZ 0.9264
26 03S 0.9262
27 AKR 0.9221
28 F3V 0.9218
29 61G 0.9217
30 R3W 0.9216
31 J3K 0.9204
32 GB 0.9195
33 FPO 0.9175
34 CP2 0.9151
35 AGU 0.9140
36 MGX 0.9130
37 PO4 0.9129
38 BRP 0.9127
39 BF4 0.9100
40 1BP 0.9098
41 ART 0.9094
42 NHY 0.9092
43 2PA 0.9088
44 BRJ 0.9082
45 ATO 0.9073
46 BXA 0.9058
47 NMU 0.9050
48 WO6 0.9036
49 EDO 0.9033
50 FUS 0.9030
51 PEJ 0.8983
52 TCV 0.8960
53 SO2 0.8920
54 ALF 0.8913
55 IMD 0.8900
56 HUH 0.8890
57 PZO 0.8870
58 OSM 0.8868
59 9XN 0.8853
60 HP4 0.8850
61 TRI 0.8820
62 MSM 0.8780
63 GXV 0.8770
64 CB0 0.8745
65 NOE 0.8741
66 ABA 0.8730
67 3GR 0.8719
68 GOL 0.8718
69 AXO 0.8610
70 6SP 0.8581
71 MZY 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5O2J; Ligand: 2PO; 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: 5o2j.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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