Structure of PDB 4a9x Chain A Binding Site BS05

Receptor Information
>4a9x Chain A (length=581) Species: 205922 (Pseudomonas fluorescens Pf0-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRLLGFDSIPAATTDTISLPKGYKSSVLISWGQPLHKNGPAFDPSGNGTA
AAQEVQFGDNNDGMSLFEFPGEKNRALMAINNEYTNYRYLYPHGGMPQSA
EDVRKALACEGVSVIEVQRKNGQWQFVQGSRYNRRIHGNSPLRISGPAAG
HELMKTSADKHGKKVLGTFQNCANGKTPWGTYLTCEENFTDCFGSSNAQQ
QFDPAQKRYGVSAASREINWHPFDPRFDMAKNPNELNRHGWVVEIDPFDP
QSTPVKRTALGRFKHENAALAETDDGRAVVYMGDDERGEFIYKFVSRDKI
NHRNAKANRDILDHGTLYVARFDAGDGNPDHPKGQGQWIELTHGKNGIDA
SSGFADQAEVLIHARLAASVVGATRMDRPEWIVVSPKDGQVYCTLTNNAK
RGEDGQPVGGPNPREKNVYGQILRWRTDRDDHASKTFAWDLFVVAGNPSV
HAGTPKGGSSNITPQNMFNSPDGLGFDKAGRLWILTDGDSSNAGDFAGMG
NNQMLCADPATGEIRRFMVGPIGCEVTGISFSPDQKTLFVGIQHPGENGG
STFPEHLPNGKPRSSVMAITREDGGIVGAHH
Ligand information
Ligand IDFEO
InChIInChI=1S/2Fe.O
InChIKeyNPMYUMBHPJGBFA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Fe]O[Fe]
OpenEye OEToolkits 1.5.0O([Fe])[Fe]
FormulaFe2 O
NameMU-OXO-DIIRON
ChEMBL
DrugBank
ZINC
PDB chain4a9x Chain A Residue 1594 [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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PDB4a9x A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry
Resolution1.79 Å
Binding residue
(original residue number in PDB)		E90 C179 E194 E273 D292 E387
Binding residue
(residue number reindexed from 1)		E83 C172 E187 E266 D285 E380
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.1: alkaline phosphatase.
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4a9x, PDBe:4a9x, PDBj:4a9x
PDBsum4a9x
PubMed25190793
UniProtQ3K5N8

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