Structure of PDB 4yx6 Chain A Binding Site BS02

Receptor Information
>4yx6 Chain A (length=518) Species: 70863 (Shewanella oneidensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PWPWQVDEAAISFDIESLGKKLKDLNQACYLINHAEKGLGIAQSAEVVLH
PVSAFAPALGTQSLGDSNFRRVHGVKYAYYAGAMANGIASEELVIALGQA
GILCSFGAAGLIPSRVEAAIKRIQAALPNGPYAFNLIHSPSEQALERGSV
ELFLKHQVRTVEASAFLGLTPQIVYYRAAGLSRDASGEIVIGNKVIAKIS
RTEVATKFMEPAPVKILQQLVNEGLISEDQMLMAQSVPMADDITAEADSG
GHTDNRPLVTLLPTILALKDTIQAKYQYKTPIRVGAGGGIGTPDAALATF
NMGAAYIVTGSINQACVEAGASEHTRKLLATTEMADVTMAPAADMFEMGV
KLQVVKRGTLFPMRANKLYEIYTRYDSIEAIPAEERQKLEEQVFRASLDE
IWAGTVAHFNERDPKQIERALDNPKRKMALIFRWYLGLSSRWSNTGEVGR
EMDYQIWAGPALGAFNAWAKGSYLDDYRERNAVDLAKHLMQGAAYQARIN
LLLSQGVSIPVSLQRWKP
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4yx6 Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4yx6 Architectural hierarchy of trans-acting enoyl reductases from polyunsaturated fatty acid and trans-AT polyketide synthases
Resolution1.86 Å
Binding residue
(original residue number in PDB)		E271 S274 G275 H277
Binding residue
(residue number reindexed from 1)		E246 S249 G250 H252
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003674 molecular_function
GO:0018580 nitronate monooxygenase activity
GO:0046872 metal ion binding
Biological Process
GO:0008150 biological_process
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4yx6, PDBe:4yx6, PDBj:4yx6
PDBsum4yx6
PubMed
UniProtQ8EGK4

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