Structure of PDB 4wwz Chain A Binding Site BS02

Receptor Information
>4wwz Chain A (length=256) Species: 220664 (Pseudomonas protegens Pf-5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IDTFSRTGPLMEAASYPAWTQQLIQDCSESKRRVVEHELYQRMRDNKLSA
KVMRQYLIGGWPVVEQFALYMAQNLTKTRFARHPGEDMARRWLMRNIRVE
LNHADYWVHWSRAHGVTLEDLQAQQVPPELHALSHWCWHTSSADSLIVAI
AATNYAIEGATGEWSALVCSNGIYAAAFPEEDRKRAMKWLKMHAQYDDAH
PWEALEIIVTLAGLNPTKALQAELRQAICKSYDYMYLFLERCMQQEKTAV
TRERLA
Ligand information
Ligand ID3X1
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10+
InChIKeyPAWGRNGPMLVJQH-ZHACJKMWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCCCCCCC/C=C/C(=O)O
CACTVS 3.385CCCCCCCCCC=CC(O)=O
OpenEye OEToolkits 1.9.2CCCCCCCCCC=CC(=O)O
ACDLabs 12.01O=C(O)/C=C/CCCCCCCCC
CACTVS 3.385CCCCCCCCC/C=C/C(O)=O
FormulaC12 H22 O2
Name(2E)-dodec-2-enoic acid
ChEMBLCHEMBL4281333
DrugBank
ZINCZINC000001689827
PDB chain4wwz Chain A Residue 302 [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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PDB4wwz Microbial biosynthesis of medium-chain 1-alkenes by a nonheme iron oxidase.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F68 E101 H104 E159 H194 F239
Binding residue
(residue number reindexed from 1)		F67 E100 H103 E158 H193 F238
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4wwz, PDBe:4wwz, PDBj:4wwz
PDBsum4wwz
PubMed25489112
UniProtQ4K8M0

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