Structure of PDB 5y5c Chain A Binding Site BS01

Receptor Information

>5y5c Chain A (length=159) Species: 9913 (Bos taurus)

TQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGD
LEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYL
LFCMENSAEPEQSLACQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNP
TQLEEQCHI

Ligand information

• Ligand ID: HXA
• InChI: InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
• InChIKey: MBMBGCFOFBJSGT-KUBAVDMBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O
  CACTVS 3.341: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)=O
  CACTVS 3.341: CC/C=C\C\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CCC(O)=O
  OpenEye OEToolkits 1.5.0: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O
  ACDLabs 10.04: O=C(O)CC\C=C/C/C=C\C\C=C/C\C=C/C\C=C/C\C=C/CC
• Formula: C22 H32 O2
• Name: DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID
• ChEMBL: CHEMBL367149
• DrugBank: DB03756
• ZINC: ZINC000004474564
• PDB chain: 5y5c Chain B Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5y5c Crystal structure of dha bind to bovine beta-lactoglobulin
• Resolution: 2.61 Å
• Binding residue (original residue number in PDB): L46 I56 I84 V92 F105
• Binding residue (residue number reindexed from 1): L43 I53 I81 V89 F102
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0019841 retinol binding
• GO:0036041 long-chain fatty acid binding
• GO:0036094 small molecule binding
• GO:0042802 identical protein binding

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:5y5c, PDBe:5y5c, PDBj:5y5c
• PDBsum: 5y5c
• UniProt: P02754|LACB_BOVIN Beta-lactoglobulin (Gene Name=LGB)