Structure of PDB 4ne0 Chain C Binding Site BS02

Receptor Information

>4ne0 Chain C (length=322) Species: 58340 (Streptomyces lavendulae subsp. lavendulae)

TPSYSLTPAEASAVAELTLELAAAYGSFGDPVLLRDLPRLAARLPEGVQD
FLREFKLADRHGHTVIRGHDFDQRRIGPTPDHWRGRVRPGPEFPEELLLM
LYSALLGEPFGWATQQDGHLVHDIFPIRSHENDQLGMGSKQLLTWHTEAA
FHPYRSDYLILGALRNPDHVPTTVGELDLSSLSAEDIDVLFEPRYHIAPD
ESHLPATIQRMIDERPLGPLLYGSRLDPYMRLDPYFTSVPQDDTDARRAY
DALFKVVDSGMREVVADQGDVLFIDNHRAVHGRLPFQARYDGTDRWLKRV
CVTSDLRRSREMRATSATRLLG

Ligand information

• Ligand ID: ZZU
• InChI: InChI=1S/C6H14N4O3/c7-4(5(12)13)3(11)1-2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1
• InChIKey: VIDUVSPOWYVZIC-IMJSIDKUSA-N
• SMILES:
  OpenEye OEToolkits 1.6.1: C(CNC(=N)N)C(C(C(=O)O)N)O
  ACDLabs 10.04: O=C(O)C(N)C(O)CCNC(=[N@H])N
  CACTVS 3.352: N[CH]([CH](O)CCNC(N)=N)C(O)=O
  CACTVS 3.352: N[C@@H]([C@@H](O)CCNC(N)=N)C(O)=O
  OpenEye OEToolkits 1.6.1: C(CNC(=N)N)[C@@H]([C@@H](C(=O)O)N)O
• Formula: C6 H14 N4 O3
• Name: (2S,3S)-3-HYDROXYARGININE
• ZINC: ZINC000013352215
• PDB chain: 4ne0 Chain C Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ne0 Biosynthesis of streptolidine involved two unexpected intermediates produced by a dihydroxylase and a cyclase through unusual mechanisms
• Resolution: 2.17 Å
• Binding residue (original residue number in PDB): H154 E156 D208 D255 F258 R321
• Binding residue (residue number reindexed from 1): H146 E148 D200 D233 F236 R299
• Annotation score: 5

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:4ne0, PDBe:4ne0, PDBj:4ne0
• PDBsum: 4ne0
• PubMed: 24505011
• UniProt: G9MBV2