Structure of PDB 6daw Chain B Binding Site BS02

Receptor Information

>6daw Chain B (length=341) Species: 68232 (Streptomyces lusitanus)

VPRGSHMMIRYVDLDAAEGAALDELTRSVLRDHGASSSPSLLDDLSLVAH
RMPPRLIRELRRFRTAEEASCLVVRGLPVDDRRLGPTPLDWREPPREPES
EVHEVFLTLATAHLGDIFGWSTLQNGRLVHDVLPVPSHENDQSGHGTVEL
AWHTEDGFHPYRCDYLLLLGLRNHDAVPTGVAGVDQVVLSDEHREVLSQP
RFLIRPDTEHLRHARTLAADRGSPHAVQLMQDEPEPCAVLFGHPDRPYLR
IDPAFMSPLPGDPEAAAALEALTAELQRNLTDVVLSPGDLLVIDNYRVVH
GRAAFKARFDGTDRWLKKAVVTRDLRKSRAHRKSAAERVLL

Ligand information

• Ligand ID: ARG
• InChI: InChI=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-/m0/s1
• InChIKey: ODKSFYDXXFIFQN-BYPYZUCNSA-O
• SMILES:
  OpenEye OEToolkits 1.5.0: C(CC(C(=O)O)N)CNC(=[NH2+])N
  CACTVS 3.341: N[C@@H](CCCNC(N)=[NH2+])C(O)=O
  OpenEye OEToolkits 1.5.0: C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
  CACTVS 3.341: N[CH](CCCNC(N)=[NH2+])C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CCCN\C(=[NH2+])N
• Formula: C6 H15 N4 O2
• Name: ARGININE
• PDB chain: 6daw Chain B Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6daw Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): L116 S136 H146 D200 D245 F248
• Binding residue (residue number reindexed from 1): L123 S143 H153 D207 D252 F255
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 1.14.-.-

Gene Ontology

Molecular Function

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

External links

• PDB: RCSB:6daw, PDBe:6daw, PDBj:6daw
• PDBsum: 6daw
• PubMed: 29708749
• UniProt: S4TL40