Structure of PDB 8a90 Chain A Binding Site BS01

Receptor Information
>8a90 Chain A (length=528) Species: 1108595 (Chromobacterium vaccinii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDNVFLRSHTKIEPLIMRWYAWAHLVSPAQHALNIAFRHLPMLKSFVASP
AVHEAASSNPEMLGGPFLELKKSDAAAVKALWQQTQQQAGRQIAFAEALL
ELDRRLQQSETGLSLDHIYAELPEPLQGLVEVSYDLHNHPSLRLIEELLY
LEDWVDGAGQEIAFSLDKEEERAFFMNTPRVDAPGRMVVPLPFADARFDL
LSASRLSSVSFSQLADALEIPEDQRPAFREYFTTSAPQRNEPEYEGDGVR
VRYFGHACVLVQTAEVSVLVDPFLTWDHQPEQGRLTFYDLPDHIDYVFLT
HNHQDHFSCEALLQLRGRIGHILVPRNNGNNFADPSMKLTLKRLGFDNVI
VMDEMADITLPDGRLVSLPSYGEHSDLSITSKHGLYLSLKGRSFMFLADS
DAKDRVLYRRIIKQVGKVDNLFIGMECDGAPLTWLYGPYLSNPIGRREDE
SRRLSGSDCERAWRIVEECGCSQALVYAMGQESWFRFVVGLEYTPDKKQI
VESDKFVDRCRQAGMAAQRLHGCQTMLL
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain8a90 Chain A Residue 606 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8a90 Adenylation Domain-Guided Recruitment of Trans- Acting Nonheme Monooxygenases in Nonribosomal Peptide Biosynthesis.
Resolution2.574 Å
Binding residue
(original residue number in PDB)		D308 H309 D402
Binding residue
(residue number reindexed from 1)		D305 H306 D399
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:8a90, PDBe:8a90, PDBj:8a90
PDBsum8a90
PubMed37366538
UniProtA0A7S9SWM2

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