Structure of PDB 5kjd Chain D Binding Site BS01

Receptor Information
>5kjd Chain D (length=479) Species: 1111708 (Synechocystis sp. PCC 6803 substr. Kazusa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QRSYSPQDWLRGYQSQPQEWDYWVEDVEGSIPPDLQGTLYRNGPGLLEIG
DRPLKHPFDGDGMVTAFKFPGDGRVHFQSKFVRTQGYVEEQKAGKMIYRG
VFGSQPAGGWLKTIFDLRLKNIANTNITYWGDRLLALWQGGQPHRLEPSN
LATIGLDDLGGILAEGQPLSAHPRIDPASTFDGGQPCYVTFSIKSSLSST
LTLLELDPQGKLLRQKTETFPGFAFIHDFAITPHYAIFLQNNVTLNGLPY
LFGLRGAGECVQFHPDKPAQIILVPRDGGEIKRIPVQAGFVFHHANAFEE
NGKIILDSICYNSLPQVDTDGDFRSTNFDNLDPGQLWRFTIDPAAATVEK
QLMVSRCCEFPVVHPQQVGRPYRYVYMGAAHHSTGNAPLQAILKVDLESG
TETLRSFAPHGFAGEPIFVPRPGGVAEDDGWLLCLIYKADLHRSELVILD
AQDITAPAIATLKLKHHIPYPLHGSWAQT
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 chain5kjd Chain D Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5kjd Key Residues for Catalytic Function and Metal Coordination in a Carotenoid Cleavage Dioxygenase.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		H183 H304 H484
Binding residue
(residue number reindexed from 1)		H172 H293 H473
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.75: all-trans-8'-apo-beta-carotenal 15,15'-oxygenase.
Gene Ontology
Molecular Function
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
GO:0102162 all-trans-8'-apo-beta-carotenal 15,15'-oxygenase activity
Biological Process
GO:0016121 carotene catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5kjd, PDBe:5kjd, PDBj:5kjd
PDBsum5kjd
PubMed27453555
UniProtP74334|ACOX_SYNY3 Apocarotenoid-15,15'-oxygenase (Gene Name=sll1541)

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