Structure of PDB 7y5f Chain B Binding Site BS02

Receptor Information

>7y5f Chain B (length=341) Species: 66854 (Saccharothrix mutabilis subsp. capreolus)

HHHSSGLVPRGSHMTAIREIRLSEPESAQAALLALECAQRYAEPDSADFL
ADAAVLAHDLPRAVRREVERARLDDRLHALVVRGNDVDQDALGPTPPHWR
QARTAASRRYGFLLVLYASLLGDVVGWATQQDGRVVTDVLPIEGQEDSLV
SSSSSVELGWHTEDAFSPYRADYVGLFSLRNPDSVATTVAGLDPDLVGPA
VVDVLFGERFHIRPDNSHSDYFAGIVEAVENPRAVSILRGHRDAPQLCVD
SDFTTAVDGDAEAAGALDTLIKHLGGALYEVVLGPGDVAFLDNRNVVHGR
RPFRARFDGTDRWLKRINVTADLRKSRAARRDAQARVLGEA

Ligand information

• Ligand ID: HRG
• InChI: InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1
• InChIKey: QUOGESRFPZDMMT-YFKPBYRVSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(CCNC(=N)N)CC(C(=O)O)N
  OpenEye OEToolkits 1.5.0: C(CCNC(=N)N)C[C@@H](C(=O)O)N
  CACTVS 3.341: N[CH](CCCCNC(N)=N)C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CCCCNC(=[N@H])N
  CACTVS 3.341: N[C@@H](CCCCNC(N)=N)C(O)=O
• Formula: C7 H16 N4 O2
• Name: L-HOMOARGININE
• ChEMBL: CHEMBL589752
• DrugBank: DB03974
• ZINC: ZINC000001529320
• PDB chain: 7y5f Chain B Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7y5f 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.
• Resolution: 1.52 Å
• Binding residue (original residue number in PDB): L136 V137 S138 H148 E150 D249 R313
• Binding residue (residue number reindexed from 1): L149 V150 S151 H161 E163 D252 R316
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:7y5f, PDBe:7y5f, PDBj:7y5f
• PDBsum: 7y5f
• PubMed: 36176888
• UniProt: A6YEH4