Structure of PDB 4pgk Chain A Binding Site BS03

Receptor Information
>4pgk 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]
ALPDFTSDRYKDAYSRINAIVIEGEQEAHDNYIAIGTLLPDHVEELKRLA
KMEMRHKKGFTACGKNLGVKADMDFAREFFAPLRDNFQTALGQGKTPTCL
LIQALLIEAFAISAYHTYIPVSDPFARKITEGVVKDEYTHLNYGEAWLKA
NLESCREELLEANRENLPLILRMLDQVAGDAAVLQMDKEDLIEDFLIAYQ
ESLTEIGFNTREITRMAAAAL
Ligand information
Ligand IDY69
InChIInChI=1S/C17H34O4/c1-2-19-14-15-21-17-16-20-13-11-9-7-5-3-4-6-8-10-12-18/h12H,2-11,13-17H2,1H3
InChIKeyFUVMRIQNBOWRMW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CCOCCOCCOCCCCCCCCCCC=O
ACDLabs 12.01O=CCCCCCCCCCCOCCOCCOCC
FormulaC17 H34 O4
Name11-[2-(2-ethoxyethoxy)ethoxy]undecanal
ChEMBL
DrugBank
ZINCZINC000215991936
PDB chain4pgk Chain A Residue 303 [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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PDB4pgk Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Resolution2.17 Å
Binding residue
(original residue number in PDB)		G44 E73 E128 F130 A131 A134 Y135 L194 F215
Binding residue
(residue number reindexed from 1)		G24 E53 E108 F110 A111 A114 Y115 L174 F195
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:4pgk, PDBe:4pgk, PDBj:4pgk
PDBsum4pgk
PubMed25222710
UniProtQ7V6D4|ALDEC_PROMM Aldehyde decarbonylase (Gene Name=PMT_1231)

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