Structure of PDB 2avi Chain B Binding Site BS01

Receptor Information

>2avi Chain B (length=121) Species: 9031 (Gallus gallus)

KCSLTGKWTNDLGSNMTIGAVNSRGEFTGTYTTAVTATSNEIKESPLHGT
ENTINKRTQPTFGFTVNWKFSESTTVFTGQCFIDRNGKEVLKTMWLLRSS
VNDIGDDWKATRVGINIFTRL

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: 2avi Chain B Residue 150

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2avi Three-dimensional structures of avidin and the avidin-biotin complex.
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): L14 S16 Y33 T38 A39 T40 W70 S73 S75 T77 W97
• Binding residue (residue number reindexed from 1): L12 S14 Y31 T36 A37 T38 W68 S71 S73 T75 W95
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0009374 biotin binding

Biological Process

• GO:0019731 antibacterial humoral response

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:2avi, PDBe:2avi, PDBj:2avi
• PDBsum: 2avi
• PubMed: 8506353
• UniProt: P02701|AVID_CHICK Avidin (Gene Name=AVD)