Structure of PDB 4pg1 Chain A Binding Site BS01

Receptor Information
>4pg1 Chain A (length=222) Species: 74547 (Prochlorococcus marinus str. MIT 9313) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALPDFTSDRYKDAYSRINAIVIEGEQEAHDNYIAIGTLLPDHVEELKRLA
KMEMRHKKGFTACGKNLGVEADMDFAREFFAPLRDNFQTALGQGKTPTCL
LIQALLIEAFAISAYHTYIPVSDPFARKITEGVVKDEYTHLNYGEAWLKA
NLESCREELLEANRENLPLIRRMLDQVAGDAAVLQMDKEDLIEDFLIAYQ
ESLTEIGFNTREITRMAAAALV
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 chain4pg1 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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PDB4pg1 Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E73 E128 H160
Binding residue
(residue number reindexed from 1)		E53 E108 H140
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:4pg1, PDBe:4pg1, PDBj:4pg1
PDBsum4pg1
PubMed25222710
UniProtQ7V6D4|ALDEC_PROMM Aldehyde decarbonylase (Gene Name=PMT_1231)

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