Structure of PDB 7voc Chain C Binding Site BS04

Receptor Information

>7voc Chain C (length=327) Species: 68214 (Streptomyces griseochromogenes)

TRERYLFIRLLEACNADCFMCDFALSRDTFRFSLEDFDELLPRAVEAGVG
YIRFTGGEPLMHTDVAELVRRGTDAGMKMSIITNGMMLPRQIERLADAGL
AQIIVSLDGGSAATHDVYRRSPGMFDNGLRGLRAAARLGVLPRVNSVVGP
HNYTEMPQLQRVLTEAGVRQWELSALKLERAISYPDPDHVRALCDPVYDA
DPEHMLVPLGKRFYGDTPEEQELYFSDSVTPRASAPLCHVVDDVIYLDGK
YGRAYACSCLPHREGDDEPGGAPLREDGVIRLDTPAFRTHADFFRTEGPR
VCNGCSTTAAGYSDDIARLGGVRPWQY

Ligand information

• Ligand ID: 7QO
• InChI: InChI=1S/C10H13N3O7/c11-3-1-2-13(10(19)12-3)8-6(16)4(14)5(15)7(20-8)9(17)18/h1-2,4-8,14-16H,(H,17,18)(H2,11,12,19)/t4-,5-,6+,7-,8+/m0/s1
• InChIKey: CHKIQPXDGYGCHW-YOWKYNACSA-N
• SMILES:
  CACTVS 3.385: NC1=NC(=O)N(C=C1)[CH]2O[CH]([CH](O)[CH](O)[CH]2O)C(O)=O
  CACTVS 3.385: NC1=NC(=O)N(C=C1)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O
  OpenEye OEToolkits 2.0.7: C1=CN(C(=O)N=C1N)C2C(C(C(C(O2)C(=O)O)O)O)O
  OpenEye OEToolkits 2.0.7: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
• Formula: C10 H13 N3 O7
• Name: (2~{S},3~{S},4~{S},5~{R},6~{R})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
• PDB chain: 7voc Chain C Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7voc Radical S -Adenosyl Methionine Enzyme BlsE Catalyzes a Radical-Mediated 1,2-Diol Dehydration during the Biosynthesis of Blasticidin S.
• Resolution: 2.62005 Å
• Binding residue (original residue number in PDB): F24 T72 K194 Y263 S275 H279
• Binding residue (residue number reindexed from 1): F7 T55 K177 Y246 S258 H262
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0046872 metal ion binding
• GO:0051536 iron-sulfur cluster binding
• GO:0051539 4 iron, 4 sulfur cluster binding

External links

• PDB: RCSB:7voc, PDBe:7voc, PDBj:7voc
• PDBsum: 7voc
• PubMed: 35238201
• UniProt: A0A1B1AYF2