Structure of PDB 5fb7 Chain C Binding Site BS01

Receptor Information
>5fb7 Chain C (length=155) Species: 1077442 (Talaromyces marneffei PM1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVKRDISAFQKVIQDISLAVNKFNVDIERYVGGDASHLLADGNVLIKATL
DGVQSLQNEPPLSSMEALALVGPVQDLSNQILLAIQNLIDKKEPLVQAGF
GGKVENNLRQQEEAAQKLSELVSTKVPHELADISRQLSDGIAAGIKKGID
AFAGT
Ligand information
Ligand IDACD
InChIInChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
InChIKeyYZXBAPSDXZZRGB-DOFZRALJSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCC/C=C\C\C=C/C/C=C\C\C=C/CCCC(O)=O
ACDLabs 10.04O=C(O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
OpenEye OEToolkits 1.5.0CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
OpenEye OEToolkits 1.5.0CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O
CACTVS 3.341CCCCCC=CCC=CCC=CCC=CCCCC(O)=O
FormulaC20 H32 O2
NameARACHIDONIC ACID
ChEMBLCHEMBL15594
DrugBankDB04557
ZINCZINC000004474696
PDB chain5fb7 Chain C Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5fb7 Talaromyces marneffei Mp1p Is a Virulence Factor that Binds and Sequesters a Key Proinflammatory Lipid to Dampen Host Innate Immune Response
Resolution1.5 Å
Binding residue
(original residue number in PDB)		F25 L40 L47 I83 N109 Q113 A117 L120 S121 S140
Binding residue
(residue number reindexed from 1)		F23 L38 L45 I81 N107 Q111 A115 L118 S119 S138
Annotation score4
Binding affinityMOAD: Kd=0.000000064M
PDBbind-CN: -logKd/Ki=7.89,Kd=13nM
Enzymatic activity
Enzyme Commision number ?
External links