Structure of PDB 4rc8 Chain A Binding Site BS01

Receptor Information
>4rc8 Chain A (length=222) Species: 1140 (Synechococcus elongatus PCC 7942 = FACHB-805) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDFQSESYKDAYSRINAIVIEGEQEAFDNYNRLAEMLPDQRDELHKLAKM
EQRHMKGFMACGKNLSVTPDMGFAQKFFERLHENFKAAAAEGKVVTCLLI
QSLIIECFAIAAYNIYIPVADAFARKITEGVVRDEYLHRNFGEEWLKANF
DASKAELEEANRQNLPLVWLMLNEVADDARELGMERESLVEDFMIAYGEA
LENIGFTTREIMRMSAYGLAAV
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain4rc8 Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rc8 Structural insights into the catalytic mechanism of aldehyde-deformylating oxygenases.
Resolution1.71 Å
Binding residue
(original residue number in PDB)		E60 E115 H147
Binding residue
(residue number reindexed from 1)		E51 E106 H138
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:4rc8, PDBe:4rc8, PDBj:4rc8
PDBsum4rc8
PubMed25482408
UniProtQ54764|ALDEC_SYNE7 Aldehyde decarbonylase (Gene Name=Synpcc7942_1593)

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