Structure of PDB 1y55 Chain Y Binding Site BS01

Receptor Information

>1y55 Chain Y (length=120) Species: 9031 (Gallus gallus)

KCSLTGKWTNNLGSIMTIRAVNSRGEFTGTYLTAVADNPGNITLSPLLGI
QHKRASQPTFGFTVHWNFSESTTVFTGQCFIDRNGKEVLKTMWLLRSSVN
DISYDWKATRVGYNNFTRLS

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: 1y55 Chain Y Residue 802

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1y55 High-resolution crystal structure of an avidin-related protein: insight into high-affinity biotin binding and protein stability.
• Resolution: 1.0 Å
• Binding residue (original residue number in PDB): L214 S216 Y233 T235 V237 A238 W268 F270 S271 T275 W295
• Binding residue (residue number reindexed from 1): L12 S14 Y31 T33 V35 A36 W66 F68 S69 T73 W93
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0009374 biotin binding

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:1y55, PDBe:1y55, PDBj:1y55
• PDBsum: 1y55
• PubMed: 15858262
• UniProt: P56734|AVR4_CHICK Avidin-related protein 4/5 (Gene Name=AVR4)