Receptor
PDB id Resolution Class Description Source Keywords
4X9X 1.2 Å NON-ENZYME: OTHER BIOCHEMICAL ROLES FOR CONSERVED RESIDUES IN THE BACTERIAL FA BINDING PROTEIN FAMILY STAPHYLOCOCCUS AUREUS (STRAIN MW2) FATTY ACID KINASE FAKB DEGV TRANSFERASE
Ref.: BIOCHEMICAL ROLES FOR CONSERVED RESIDUES IN THE BAC FATTY ACID-BINDING PROTEIN FAMILY. J.BIOL.CHEM. V. 291 6292 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OLA A:301;
 Valid;
 none;
 submit data
282.461 C18 H34 O2 CCCCC...
EDO A:304;
A:303;
A:302;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4X9X 1.2 Å NON-ENZYME: OTHER BIOCHEMICAL ROLES FOR CONSERVED RESIDUES IN THE BACTERIAL FA BINDING PROTEIN FAMILY STAPHYLOCOCCUS AUREUS (STRAIN MW2) FATTY ACID KINASE FAKB DEGV TRANSFERASE
Ref.: BIOCHEMICAL ROLES FOR CONSERVED RESIDUES IN THE BAC FATTY ACID-BINDING PROTEIN FAMILY. J.BIOL.CHEM. V. 291 6292 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4X9X - OLA C18 H34 O2 CCCCCCCCC=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4X9X - OLA C18 H34 O2 CCCCCCCCC=....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4X9X - OLA C18 H34 O2 CCCCCCCCC=....
2 1MGP - PLM C16 H32 O2 CCCCCCCCCC....
3 3FYS - PLM C16 H32 O2 CCCCCCCCCC....
4 5WOO - MYR C14 H28 O2 CCCCCCCCCC....
5 6B9I - D0G C17 H34 O2 CC[C@H](C)....
6 6ALW - BNV C15 H30 O2 CC[C@H](C)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: OLA; Similar ligands found: 57
No: Ligand ECFP6 Tc MDL keys Tc
1 OLA 1 1
2 ELA 1 1
3 NER 1 1
4 PAM 0.939394 1
5 VCA 0.939394 1
6 MYZ 0.852941 0.954545
7 EIC 0.725 0.956522
8 EW8 0.71875 0.954545
9 X90 0.71875 0.954545
10 DAO 0.71875 0.954545
11 F23 0.71875 0.954545
12 TDA 0.71875 0.954545
13 PLM 0.71875 0.954545
14 STE 0.71875 0.954545
15 DCR 0.71875 0.954545
16 KNA 0.71875 0.954545
17 MYR 0.71875 0.954545
18 DKA 0.71875 0.954545
19 F15 0.71875 0.954545
20 11A 0.71875 0.954545
21 OCA 0.6875 0.954545
22 ODD 0.675 0.956522
23 RCL 0.625 0.88
24 LNL 0.613636 0.869565
25 SHV 0.606061 0.909091
26 KTC 0.605263 0.84
27 3X1 0.564103 0.863636
28 ODT 0.555556 0.826087
29 T25 0.54717 0.709677
30 AZ1 0.53125 0.615385
31 6NA 0.529412 0.863636
32 10Y 0.529412 0.645161
33 10X 0.529412 0.645161
34 OLB 0.519231 0.617647
35 OLC 0.519231 0.617647
36 243 0.519231 0.846154
37 MVC 0.490566 0.617647
38 ACD 0.488889 0.956522
39 VA 0.478261 0.692308
40 3LA 0.47619 0.769231
41 78M 0.471698 0.617647
42 78N 0.471698 0.617647
43 EOD 0.468085 0.677419
44 MPG 0.45283 0.617647
45 14V 0.444444 0.714286
46 LEA 0.441176 0.772727
47 T24 0.438596 0.769231
48 BRC 0.435897 0.64
49 14U 0.431818 0.678571
50 M12 0.428571 0.833333
51 1WV 0.425926 0.617647
52 UNA 0.421053 0.636364
53 OCD 0.421053 0.636364
54 8YP 0.421053 0.636364
55 D0G 0.4 0.913043
56 BMJ 0.4 0.913043
57 BNV 0.4 0.913043
Similar Ligands (3D)
Ligand no: 1; Ligand: OLA; Similar ligands found: 4
No: Ligand Similarity coefficient
1 T4T 0.9616
2 HDS 0.8790
3 EPA 0.8684
4 BOM 0.8571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4X9X; Ligand: OLA; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4x9x.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 1PZX PLM 47.7509
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