Structure of PDB 4kvr Chain A Binding Site BS01

Receptor Information
>4kvr Chain A (length=221) Species: 74547 (Prochlorococcus marinus str. MIT 9313) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALPDFTSDRYKDAYSRINAIYIEGEQEAHDNYIAIGTLLPDHVEELKRLA
KMEMRHKKGFTACGKNLGVEADMDFAREFFAPLRDNFQTALGQGKTPTCL
LIQALLIEAFAISAYHTYIPVSDPFARKITEGVVKDEYTHLNYGEAWLKA
NLESCREELLEANRENLPLIRRMLDQVAGDAAVLQMDKEDLIEDFLIAYQ
ESLTEIGFNTREITRMAAAAL
Ligand information
Ligand ID6NA
InChIInChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKeyFUZZWVXGSFPDMH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCC(=O)O
ACDLabs 10.04O=C(O)CCCCC
CACTVS 3.341CCCCCC(O)=O
FormulaC6 H12 O2
NameHEXANOIC ACID
ChEMBLCHEMBL14184
DrugBank
ZINCZINC000001529230
PDB chain4kvr Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4kvr Production of propane and other short-chain alkanes by structure-based engineering of ligand specificity in aldehyde-deformylating oxygenase.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		G44 E45 A48 E73 E128 F130 A131 E157
Binding residue
(residue number reindexed from 1)		G24 E25 A28 E53 E108 F110 A111 E137
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.99.5: aldehyde oxygenase (deformylating).
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0046872 metal ion binding
GO:0046914 transition metal ion binding
GO:0071771 aldehyde oxygenase (deformylating) activity

View graph for
Molecular Function
External links
PDB RCSB:4kvr, PDBe:4kvr, PDBj:4kvr
PDBsum4kvr
PubMed23757044
UniProtQ7V6D4|ALDEC_PROMM Aldehyde decarbonylase (Gene Name=PMT_1231)

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