Receptor
PDB id Resolution Class Description Source Keywords
3FYS 2.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DEGV, A FATTY ACID BINDING PROTEIN FROM BACILLUS SUBTILIS BACILLUS SUBTILIS FATTY ACID-BINDING EDD FOLD FATTY ACID-BINDING PROTEIN
Ref.: STRUCTURE OF A FATTY ACID-BINDING PROTEIN FROM BACILLUS SUBTILIS DETERMINED BY SULFUR-SAD PHASING USING IN-HOUSE CHROMIUM RADIATION ACTA CRYSTALLOGR.,SECT.D V. 65 440 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BR A:701;
A:702;
A:703;
A:704;
A:705;
A:706;
A:707;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
79.904 Br [Br-]
EDO A:601;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
PLM A:501;
Valid;
none;
submit data
256.424 C16 H32 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FYS 2.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DEGV, A FATTY ACID BINDING PROTEIN FROM BACILLUS SUBTILIS BACILLUS SUBTILIS FATTY ACID-BINDING EDD FOLD FATTY ACID-BINDING PROTEIN
Ref.: STRUCTURE OF A FATTY ACID-BINDING PROTEIN FROM BACILLUS SUBTILIS DETERMINED BY SULFUR-SAD PHASING USING IN-HOUSE CHROMIUM RADIATION ACTA CRYSTALLOGR.,SECT.D V. 65 440 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3FYS - PLM C16 H32 O2 CCCCCCCCCC....
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 3FYS - PLM C16 H32 O2 CCCCCCCCCC....
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: PLM; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 F23 1 1
3 11A 1 1
4 STE 1 1
5 KNA 1 1
6 TDA 1 1
7 DCR 1 1
8 DAO 1 1
9 DKA 1 1
10 PLM 1 1
11 F15 1 1
12 OCA 0.956522 1
13 SHV 0.833333 0.952381
14 KTC 0.793103 0.875
15 AZ1 0.73913 0.64
16 6NA 0.72 0.904762
17 NER 0.71875 0.954545
18 OLA 0.71875 0.954545
19 ELA 0.71875 0.954545
20 VCA 0.666667 0.954545
21 PAM 0.666667 0.954545
22 PML 0.625 0.6
23 3LA 0.606061 0.8
24 LEA 0.6 0.809524
25 MYZ 0.588235 0.909091
26 12H 0.586207 0.615385
27 ODD 0.567568 0.913043
28 BRC 0.566667 0.666667
29 14V 0.555556 0.740741
30 M12 0.545455 0.869565
31 14U 0.542857 0.703704
32 EIC 0.538462 0.913043
33 EOD 0.538462 0.7
34 BUA 0.48 0.666667
35 RCL 0.468085 0.84
36 HXD 0.459459 0.807692
37 56S 0.459459 0.653846
38 ODT 0.452381 0.782609
39 3X1 0.444444 0.818182
40 LNL 0.44186 0.826087
41 CNS 0.435897 0.68
42 6UL 0.435897 0.68
43 5UF 0.432432 0.807692
44 243 0.428571 0.807692
45 GYM 0.418605 0.606061
46 PL3 0.413793 0.75
47 O8N 0.413793 0.75
48 1DO 0.413793 0.75
49 F09 0.413793 0.75
50 OC9 0.413793 0.75
51 DE1 0.413793 0.75
52 T25 0.403846 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3FYS; Ligand: PLM; Similar sites found: 19
This union binding pocket(no: 1) in the query (biounit: 3fys.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3RG9 WRA 0.007476 0.41142 1.66667
2 5FQK 6NT 0.02335 0.40898 1.85874
3 3LHS SF8 0.01563 0.41764 2.02703
4 3BFV ADP 0.0207 0.40305 2.21402
5 5KJW 53C 0.002415 0.45982 2.85714
6 5IKR ID8 0.01257 0.40981 2.85714
7 3TL1 JRO 0.02094 0.411 3.14465
8 5XLY C2E 0.00163 0.43904 3.20285
9 3NZ1 3NY 0.005887 0.43932 3.83142
10 2JBM SRT 0.02156 0.41335 6.03175
11 2CJU PHX 0.02181 0.41076 6.19469
12 5FUI APY 0.00005875 0.53728 6.81818
13 5U9J GER 0.03386 0.40005 7.10059
14 4X5S AZM 0.01997 0.41254 8.25397
15 2XG5 EC5 0.008585 0.42817 11.4679
16 2XG5 EC2 0.008585 0.42817 11.4679
17 5TFZ 7BC 0.01359 0.41631 14
18 1I7M PUT 0.0252 0.41322 14.9254
19 1I7M CG 0.01899 0.40491 14.9254
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