Structure of PDB 6vcf Chain A Binding Site BS01

Receptor Information
>6vcf Chain A (length=453) Species: 1078905 (Candidatus Nitrosotalea devanaterra) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKFQLGFSTLSEELDLESLQVKGTIPKWLSGTLIRNGPAKFEVGKEKFQH
WFDGLAMLHKFSFKEGKVSYANKFLESKAYQSARDTDKISYREFATDPCK
FTDNANVNVTKIAERFVAMTETPLPVEFDINTLKTVGVFAYDDKIESGLT
TAHPHYDFVKNELVNYATKISRSSNYNVYKIADKTNHRNLIGSIPVEEPA
YMHSFAMTENYVVLVEYPFVVKPLDLLLSGKPFIENFSWKPENGTRFIIV
NRQNGNLVGTYKSDAFFAFHHVNAFEKQEEIFVDIIAYQDSSIVNALYLD
ILRGQKTDTIPTSHIRRYRIPLSGGQVEYEMLSSEAVELPRINYKQYNTK
DYRFVYGISTYSASDFANQLVKIDILRKSSKIWSEKDCYPGEPVFVGAPD
ATKEDEGLILSAVLDATNAKSFLLILDATTFEEVARAEVPHHIPFGFHGN
YFE
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain6vcf Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6vcf Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Resolution2.687 Å
Binding residue
(original residue number in PDB)		H172 H222 H289 H467
Binding residue
(residue number reindexed from 1)		H153 H203 H270 H448
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003834 beta-carotene 15,15'-dioxygenase activity
GO:0010436 carotenoid dioxygenase activity
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0016121 carotene catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6vcf, PDBe:6vcf, PDBj:6vcf
PDBsum6vcf
PubMed32747548
UniProtA0A128A3G4

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