Structure of PDB 4m2g Chain C Binding Site BS02

Receptor Information

>4m2g Chain C (length=331) Species: 58340 (Streptomyces lavendulae subsp. lavendulae)

TPSYSLTPAEASAVAELTLELAAAYGSFGDPVLLRDLPRLAARLPEGVQD
FLREFKLADRHGHTVIRGHDFDQRRIGPTPDHWRGRVRPGPEFPEELLLM
LYSALLGEPFGWATQQDGHLVHDIFPIRSHENDQLGMGSKQLLTWHTEDA
FHPYRSDYLILGALRNPDHVPTTVGELDLSSLSAEDIDVLFEPRYHIAPD
ESHLPKNNTIAARFATIQRMIDERPLGPLLYGSRLDPYMRLDPYFTSVPQ
DDTDARRAYDALFKVVDSGMREVVADQGDVLFIDNHRAVHGRLPFQARYD
GTDRWLKRVCVTSDLRRSREMRATSATRLLG

Ligand information

• Ligand ID: 2OR
• InChI: InChI=1S/C6H14N4O4/c7-3(5(13)14)4(12)2(11)1-10-6(8)9/h2-4,11-12H,1,7H2,(H,13,14)(H4,8,9,10)/p+1/t2-,3+,4+/m1/s1
• InChIKey: LYAOXRAIEOXDDL-UZBSEBFBSA-O
• SMILES:
  CACTVS 3.385: N[CH]([CH](O)[CH](O)CNC(N)=[NH2+])C(O)=O
  OpenEye OEToolkits 1.7.6: C(C(C(C(C(=O)O)N)O)O)NC(=[NH2+])N
  OpenEye OEToolkits 1.7.6: C([C@H]([C@@H]([C@@H](C(=O)O)N)O)O)NC(=[NH2+])N
  CACTVS 3.385: N[C@@H]([C@@H](O)[C@H](O)CNC(N)=[NH2+])C(O)=O
  ACDLabs 12.01: O=C(O)C(N)C(O)C(O)CNC(=[NH2+])\N
• Formula: C6 H15 N4 O4
• Name: amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium
• PDB chain: 4m2g Chain C Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4m2g Biosynthesis of streptolidine involved two unexpected intermediates produced by a dihydroxylase and a cyclase through unusual mechanisms.
• Resolution: 2.39 Å
• Binding residue (original residue number in PDB): Q123 G144 H154 E156 D208 D255 F258 R321
• Binding residue (residue number reindexed from 1): Q115 G136 H146 E148 D200 D242 F245 R308
• Annotation score: 3

Enzymatic activity

• Enzyme Commision number: 1.14.11.41: L-arginine hydroxylase.

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0102525 2-oxoglutarate, L-arginine oxygenase (succinate-forming) activity

External links

• PDB: RCSB:4m2g, PDBe:4m2g, PDBj:4m2g
• PDBsum: 4m2g
• PubMed: 24505011
• UniProt: G9MBV2