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 1256 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 1068 families.
1 4X9X - OLA C18 H34 O2 CCCCCCCCC=....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4X9X - OLA C18 H34 O2 CCCCCCCCC=....
2 1MGP - PLM C16 H32 O2 CCCCCCCCCC....
3 3FYS - PLM C16 H32 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OLA; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 NER 1 1
2 OLA 1 1
3 ELA 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 STE 0.71875 0.954545
9 MYR 0.71875 0.954545
10 F23 0.71875 0.954545
11 DAO 0.71875 0.954545
12 11A 0.71875 0.954545
13 TDA 0.71875 0.954545
14 KNA 0.71875 0.954545
15 F15 0.71875 0.954545
16 DKA 0.71875 0.954545
17 DCR 0.71875 0.954545
18 PLM 0.71875 0.954545
19 OCA 0.6875 0.954545
20 ODD 0.675 0.956522
21 RCL 0.625 0.88
22 LNL 0.613636 0.869565
23 SHV 0.606061 0.909091
24 KTC 0.605263 0.84
25 3X1 0.564103 0.863636
26 ODT 0.555556 0.826087
27 T25 0.54717 0.709677
28 AZ1 0.53125 0.615385
29 6NA 0.529412 0.863636
30 10Y 0.529412 0.645161
31 10X 0.529412 0.645161
32 243 0.519231 0.846154
33 OLC 0.519231 0.617647
34 OLB 0.519231 0.617647
35 MVC 0.490566 0.617647
36 ACD 0.488889 0.956522
37 VA 0.478261 0.692308
38 3LA 0.47619 0.769231
39 78N 0.471698 0.617647
40 78M 0.471698 0.617647
41 EOD 0.468085 0.677419
42 MPG 0.45283 0.617647
43 14V 0.444444 0.714286
44 LEA 0.441176 0.772727
45 T24 0.438596 0.769231
46 BRC 0.435897 0.64
47 14U 0.431818 0.678571
48 M12 0.428571 0.833333
49 UNA 0.421053 0.636364
50 8YP 0.421053 0.636364
51 OCD 0.421053 0.636364
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4X9X; Ligand: OLA; Similar sites found: 24
This union binding pocket(no: 1) in the query (biounit: 4x9x.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DQ8 FLF 0.001347 0.4269 2.08333
2 2QHV OC9 0.001425 0.46923 2.85714
3 4KBA 1QM 0.003891 0.44701 3.01003
4 3P7N FMN 0.007115 0.40663 3.10078
5 4BWL MN9 0.01688 0.42063 4.01338
6 5A89 FMN 0.01275 0.40009 4.48718
7 2YAK OSV 0.003762 0.40754 4.5614
8 3ZJX BOG 0.003532 0.45832 4.84429
9 2AG4 OLA 0.01804 0.40562 4.87805
10 2AG4 LP3 0.01806 0.4056 4.87805
11 1LNX URI 0.008329 0.43735 4.93827
12 1OUK 084 0.04409 0.40326 5.35117
13 4MIB 28M 0.02091 0.40638 5.68562
14 2YPI PGA 0.02069 0.40594 6.07287
15 4P8K FAD 0.02002 0.40232 6.68896
16 4P8K 38C 0.02071 0.40232 6.68896
17 2Y6Q I7T 0.00908 0.40986 7.02341
18 4XCP PLM 0.02887 0.40876 7.05882
19 4FFG 0U8 0.01412 0.43647 8.02676
20 3G5D 1N1 0.01607 0.4 9.44056
21 1DZK PRZ 0.01202 0.40994 12.7389
22 2JCB ADP 0.02691 0.4002 13.5
23 4BG4 ADP 0.005437 0.41866 17.0569
24 1PZX PLM 0.00000000005278 0.67509 47.7509
25 1VPV PLM 0.000000000588 0.67496 50
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