Structure of PDB 7yw9 Chain A Binding Site BS01

Receptor Information
>7yw9 Chain A (length=338) Species: 66854 (Saccharothrix mutabilis subsp. capreolus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTAIREIRLSEPESAQAALLALECAQRYAEPDSADFLADAAVLAHDLPRA
VRREVERARLDDRLHALVVRGNDVDQDALGPTPPHWRQARTAASRRYGFL
LVLYASLLGDVVGWATQQDGRVVTDVLPIEGQEDSQVGSSSSVELGWHTE
DAFSPYRADYVGLFSLRNPDSVATTVAGLDPDLVGPAVVDVLFGERFHIR
PDNSHLPTHNSGGRLSDYFAGIVEAVENPRAVSILRGHRDAPQLCVDSYF
TTAVDGDAEAAGALDTLIKHLGGALYEVVLGPGDVAFLDNRNVVHGRRPF
RARFDGTDRWLKRINVTADLRKSRAARRDAQARVLGEA
Ligand information
Ligand IDDAR
InChIInChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1
InChIKeyODKSFYDXXFIFQN-SCSAIBSYSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=[NH2+])N
OpenEye OEToolkits 1.5.0C(C[C@H](C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[CH](CCCNC(N)=[NH2+])C(O)=O
CACTVS 3.341N[C@H](CCCNC(N)=[NH2+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCN\C(=[NH2+])N
FormulaC6 H15 N4 O2
NameD-ARGININE
ChEMBL
DrugBank
ZINC
PDB chain7yw9 Chain A Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7yw9 Crystal structure of the alpha-ketoglutarate-dependent non-heme iron oxygenase CmnC in capreomycin biosynthesis and its engineering to catalyze hydroxylation of the substrate enantiomer.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		Q136 V137 G138 G146 H148 E150 D202 S204 D247 Y249 R313
Binding residue
(residue number reindexed from 1)		Q136 V137 G138 G146 H148 E150 D202 S204 D247 Y249 R313
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7yw9, PDBe:7yw9, PDBj:7yw9
PDBsum7yw9
PubMed36176888
UniProtA6YEH4

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