Structure of PDB 7ouq Chain B Binding Site BS01

Receptor Information

>7ouq Chain B (length=118) Species: 1913989 (Gammaproteobacteria bacterium)

GGVQALSAWTNQSGSTLYIQSVDPSGSLSGYYINRAAGYGCQNTPYPVTG
WVYGTAITFTVLWENATESCNSITAWTGFYYQGQITTLWQLVINGSTSTG
QIISGEDIFKPSQQKKSK

Ligand information

• Ligand ID: BTN
• InChI: InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
• InChIKey: YBJHBAHKTGYVGT-ZKWXMUAHSA-N
• SMILES:
  CACTVS 3.385: OC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12
  CACTVS 3.385: OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
  ACDLabs 12.01: O=C1NC2C(SCC2N1)CCCCC(=O)O
  OpenEye OEToolkits 1.7.6: C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2
  OpenEye OEToolkits 1.7.6: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2
• Formula: C10 H16 N2 O3 S
• Name: BIOTIN
• ChEMBL: CHEMBL857
• DrugBank: DB00121
• ZINC: ZINC000035024346
• PDB chain: 7ouq Chain B Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7ouq Wilavidin - a novel member of the avidin family that forms unique biotin-binding hexamers.
• Resolution: 2.63 Å
• Binding residue (original residue number in PDB): S21 Y38 N40 Y45 G46 W69 C76 S78 T80 W82 W95
• Binding residue (residue number reindexed from 1): S15 Y32 N34 Y39 G40 W63 C70 S72 T74 W76 W89
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0009374 biotin binding

External links

• PDB: RCSB:7ouq, PDBe:7ouq, PDBj:7ouq
• PDBsum: 7ouq
• PubMed: 34726340
• UniProt: A0A3A4VWA2