Structure of PDB 5fb7 Chain C Binding Site BS02

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 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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 V76 V124 S136 S140 I143
Binding residue
(residue number reindexed from 1)		I13 V74 V122 S134 S138 I141
Annotation score4
Binding affinityMOAD: Kd=0.000000064M
PDBbind-CN: -logKd/Ki=7.89,Kd=13nM
Enzymatic activity
Enzyme Commision number ?
External links