Structure of PDB 5irw Chain D Binding Site BS01

Receptor Information

>5irw Chain D (length=121) Species: 9031 (Gallus gallus)

KCSLTGKWTNDLGSNMTIGAVNSRGEFTGTYTTAVTATSNEIKESPLHGT
QNTINKRTQPTFGFTVNWKFSESTTVFTGQCFIDRNGKEVLKTMWLLRSS
VNDIGDDWKATRVGINIFTRL

Ligand information

• Ligand ID: D9P
• InChI: InChI=1S/C26H26N2O2/c1-16-22(28-26(30)27-16)8-3-2-4-9-23(29)20-14-12-19-11-10-17-6-5-7-18-13-15-21(20)25(19)24(17)18/h5-7,10-16,22H,2-4,8-9H2,1H3,(H2,27,28,30)/t16-,22+/m0/s1
• InChIKey: GEJQOLRONNVYHQ-KSFYIVLOSA-N
• SMILES:
  CACTVS 3.385: C[CH]1NC(=O)N[CH]1CCCCCC(=O)c2ccc3ccc4cccc5ccc2c3c45
  CACTVS 3.385: C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)c2ccc3ccc4cccc5ccc2c3c45
  OpenEye OEToolkits 2.0.4: CC1C(NC(=O)N1)CCCCCC(=O)c2ccc3ccc4cccc5c4c3c2cc5
  OpenEye OEToolkits 2.0.4: C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)c2ccc3ccc4cccc5c4c3c2cc5
  ACDLabs 12.01: O=C(c1ccc4c2c1ccc3c2c(ccc3)cc4)CCCCCC5NC(NC5C)=O
• Formula: C26 H26 N2 O2
• Name: 1-desthiobiotinylpyrene
• ZINC: ZINC000584905528
• PDB chain: 5irw Chain D Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5irw Structural Characterization of the Avidin Interactions with Fluorescent Pyrene-Conjugates: 1-Biotinylpyrene and 1-Desthiobiotinylpyrene.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): S16 Y33 T38 A39 T40 W70 S73 S75 W97 S101 R114
• Binding residue (residue number reindexed from 1): S14 Y31 T36 A37 T38 W68 S71 S73 W95 S99 R112
• Annotation score: 1

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:5irw, PDBe:5irw, PDBj:5irw
• PDBsum: 5irw
• PubMed: 27689976
• UniProt: P02701|AVID_CHICK Avidin (Gene Name=AVD)