Structure of PDB 5fb7 Chain B Binding Site BS02

Receptor Information
>5fb7 Chain B (length=151) Species: 1077442 (Talaromyces marneffei PM1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DISAFQKVIQDISLAVNKFNVDIERYVGGDASHLLADGNVLIKATLDGVQ
SLQNEPPLSSMEALALVGPVQDLSNQILLAIQNLIDKKEPLVQAGFGGKV
ENNLRQQEEAAQKLSELVSTKVPHELADISRQLSDGIAAGIKKGIDAFAG
T
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 B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		I15 L72 V76 L79 V124 S136 L139
Binding residue
(residue number reindexed from 1)		I9 L66 V70 L73 V118 S130 L133
Annotation score4
Binding affinityMOAD: Kd=0.000000064M
Enzymatic activity
Enzyme Commision number ?
External links