Structure of PDB 5kil Chain A Binding Site BS01

Receptor Information
>5kil Chain A (length=510) Species: 953739 (Streptomyces venezuelae ATCC 10712) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RYSLRQDIAVEPVIAGWYGWSYLLPPQTLARFVHNRFNRIVESYLDDPQV
HAAAVRQRRMHGGPWIHAHEHRDAIEAWYRETAPRRERLDELFEAVRRLE
EDILPRHHGECLDPVYQELPAALAGRVEVFYGRDNRTADYRFVEPLMYAS
EYYDESWQQVRFRPVTEDAREFALTTPMLEYGPEQLLVNVPLNSPLLDAV
FRGGLTGTELDDLAARFGLDGERAARFASYFEPTPEDVLEYVGHACVFAR
HRGTTFLVDPVLSYSGYPGGAENRFTFADLPERIDHLLITHNHQDHMLFE
TLLRIRHRVGRVLVPKSTNASLVDPGLGGILRRLGFTDVVEVDDLETLSC
GSAEVVALPFLGDHGDLRIRSKTGWLIRFGERSVLFAADSTNISPTMYTK
VAEVIGPVDTVFIGMESIGAAASWIYGPLYGEPLDRRTDQSRRLNGSNFP
QAREIVDALEPDEVYVYAMGLEPWMGVVMPAIVDSDLLVRHVQDKGGTAE
RLHLRRTLRL
Ligand information
Ligand IDFEO
InChIInChI=1S/2Fe.O
InChIKeyNPMYUMBHPJGBFA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Fe]O[Fe]
OpenEye OEToolkits 1.5.0O([Fe])[Fe]
FormulaFe2 O
NameMU-OXO-DIIRON
ChEMBL
DrugBank
ZINC
PDB chain5kil Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5kil A Carboxylate Shift Regulates Dioxygen Activation by the Diiron Nonheme beta-Hydroxylase CmlA upon Binding of a Substrate-Loaded Nonribosomal Peptide Synthetase.
Resolution2.72 Å
Binding residue
(original residue number in PDB)		H305 H307 D309 H310 D377 D403
Binding residue
(residue number reindexed from 1)		H291 H293 D295 H296 D363 D389
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.99.65: 4-amino-L-phenylalanyl-[CmlP-peptidyl-carrier-protein] 3-hydroxylase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0017000 antibiotic biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5kil, PDBe:5kil, PDBj:5kil
PDBsum5kil
PubMed27668828
UniProtF2RB80|CMLA_STRVP 4-amino-L-phenylalanyl-[CmlP-peptidyl-carrier-protein] 3-hydroxylase (Gene Name=cmlA)

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