Structure of PDB 8a90 Chain B Binding Site BS01

Receptor Information
>8a90 Chain B (length=530) Species: 1108595 (Chromobacterium vaccinii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVSDNVFLRSHTKIEPLIMRWYAWAHLVSPAQHALNIAFRHLPMLKSFVA
SPAVHEAASSNPEMLGGPFLELKKSDAAAVKALWQQTQQQAGRQIAFAEA
LLELDRRLQQSETGLSLDHIYAELPEPLQGLVEVSYDLHNHPSLRLIEEL
LYLEDWVDGAGQEIAFSLDKEEERAFFMNTPRVDAPGRMVVPLPFADARF
DLLSASRLSSVSFSQLADALEIPEDQRPAFREYFTTSAPQRNEPEYEGDG
VRVRYFGHACVLVQTAEVSVLVDPFLTWDHQPEQGRLTFYDLPDHIDYVF
LTHNHQDHFSCEALLQLRGRIGHILVPRNNGNNFADPSMKLTLKRLGFDN
VIVMDEMADITLPDGRLVSLPSYGEHSDLSITSKHGLYLSLKGRSFMFLA
DSDAKDRVLYRRIIKQVGKVDNLFIGMECDGAPLTWLYGPYLSNPIGRRE
DESRRLSGSDCERAWRIVEECGCSQALVYAMGQESWFRFVVGLEYTPDKK
QIVESDKFVDRCRQAGMAAQRLHGCQTMLL
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 B Residue 603 [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)		H304 H306 H309 E376 D402
Binding residue
(residue number reindexed from 1)		H303 H305 H308 E375 D401
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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