Structure of PDB 4kvs Chain A Binding Site BS01
Receptor Information
>4kvs Chain A (length=221) Species:
74547
(Prochlorococcus marinus str. MIT 9313) [
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ALPDFTSDRYKDAYSRINAIVIEGEQEAHDNYIAIGTLLPDHVEELKRLA
KMEMRHKKGFTACGKNLGVEADMDFAREFFAPLRDNFQTALGQGKTPTCL
LIQALLIEAFAISFYHTYIPVSDPFARKITEGVVKDEYTHLNYGEAWLKA
NLESCREELLEANRENLPLIRRMLDQVAGDAAVLQMDKEDLIEDFLIAYQ
ESLTEIGFNTREITRMAAAAL
Ligand information
Ligand ID
6NA
InChI
InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKey
FUZZWVXGSFPDMH-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
CCCCCC(=O)O
ACDLabs 10.04
O=C(O)CCCCC
CACTVS 3.341
CCCCCC(O)=O
Formula
C6 H12 O2
Name
HEXANOIC ACID
ChEMBL
CHEMBL14184
DrugBank
ZINC
ZINC000001529230
PDB chain
4kvs Chain A Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
4kvs
Production of propane and other short-chain alkanes by structure-based engineering of ligand specificity in aldehyde-deformylating oxygenase.
Resolution
1.67 Å
Binding residue
(original residue number in PDB)
G44 E45 A48 E73 E128 A131 E157
Binding residue
(residue number reindexed from 1)
G24 E25 A28 E53 E108 A111 E137
Annotation score
1
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:4kvs
,
PDBe:4kvs
,
PDBj:4kvs
PDBsum
4kvs
PubMed
23757044
UniProt
Q7V6D4
|ALDEC_PROMM Aldehyde decarbonylase (Gene Name=PMT_1231)
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