Structure of PDB 2avi Chain A Binding Site BS01

Receptor Information
>2avi Chain A (length=121) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KCSLTGKWTNDLGSNMTIGAVNSRGEFTGTYTTAVTATSNEIKESPLHGT
ENTINKRTQPTFGFTVNWKFSESTTVFTGQCFIDRNGKEVLKTMWLLRSS
VNDIGDDWKATRVGINIFTRL
Ligand information
Ligand IDBTN
InChIInChI=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
InChIKeyYBJHBAHKTGYVGT-ZKWXMUAHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12
CACTVS 3.385OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
ACDLabs 12.01O=C1NC2C(SCC2N1)CCCCC(=O)O
OpenEye OEToolkits 1.7.6C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2
OpenEye OEToolkits 1.7.6C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2
FormulaC10 H16 N2 O3 S
NameBIOTIN
ChEMBLCHEMBL857
DrugBankDB00121
ZINCZINC000035024346
PDB chain2avi Chain A Residue 150 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2avi Three-dimensional structures of avidin and the avidin-biotin complex.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		L14 T35 V37 T38 A39 T40 W70 F72 S73 S75 T77 W97 N118
Binding residue
(residue number reindexed from 1)		L12 T33 V35 T36 A37 T38 W68 F70 S71 S73 T75 W95 N116
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=15.22,Kd=0.6fM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0019731 antibacterial humoral response
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:2avi, PDBe:2avi, PDBj:2avi
PDBsum2avi
PubMed8506353
UniProtP02701|AVID_CHICK Avidin (Gene Name=AVD)

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