Structure of PDB 5kk0 Chain B Binding Site BS01

Receptor Information
>5kk0 Chain B (length=481) 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]
PSQRSYSPQDWLRGYQSQPQEWDYWVEDVEGSIPPDLQGTLYRNGPGLLE
IGDRPLKHPFDGDGMVTAFKFPGDGRVHFQSKFVRTQGYVEEQKAGKMIY
RGVFGSQPAGGWLKTIFDLRLKNIANANITYWGDRLLALWEGGQPHRLEP
SNLATIGLDDLGGILAEGQPLSAHPRIDPASTFDGGQPCYVTFSIKSSLS
STLTLLELDPQGKLLRQKTETFPGFAFIHDFAITPHYAIFLQNNVTLNGL
PYLFGLRGAGECVQFHPDKPAQIILVPRDGGEIKRIPVQAGFVFHHANAF
EENGKIILDSICYNSLPQVDTDGDFRSTNFDNLDPGQLWRFTIDPAAATV
EKQLMVSRCCEFPVVHPQQVGRPYRYVYMGAAHHSTGNAPLQAILKVDLE
SGTETLRSFAPHGFAGEPIFVPRPGGVAEDDGWLLCLIYKADLHRSELVI
LDAQDITAPAIATLKLKHHIPYPLHGSWAQT
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 chain5kk0 Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5kk0 Utilization of Dioxygen by Carotenoid Cleavage Oxygenases.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		H183 H238 H304 H484
Binding residue
(residue number reindexed from 1)		H174 H229 H295 H475
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:5kk0, PDBe:5kk0, PDBj:5kk0
PDBsum5kk0
PubMed26499794
UniProtP74334|ACOX_SYNY3 Apocarotenoid-15,15'-oxygenase (Gene Name=sll1541)

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