Structure of PDB 1avd Chain A Binding Site BS01

Receptor Information
>1avd Chain A (length=123) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KCSLTGKWTNDLGSNMTIGAVNSRGEFTGTYTTAVTATSNEIKESPLHGT
ENTINKRTQPTFGFTVNWKFSESTTVFTGQCFIDRNGKEVLKTMWLLRSS
VNDIGDDWKATRVGINIFTRLRT
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 chain1avd Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1avd Three-dimensional structure of the tetragonal crystal form of egg-white avidin in its functional complex with biotin at 2.7 A resolution.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		L14 S16 Y33 T35 V37 A39 T40 W70 S73 S75 T77 W97
Binding residue
(residue number reindexed from 1)		L12 S14 Y31 T33 V35 A37 T38 W68 S71 S73 T75 W95
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=15.00,Kd=1fM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0019731 antibacterial humoral response
Cellular Component
GO:0005576 extracellular region

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Cellular Component
External links
PDB RCSB:1avd, PDBe:1avd, PDBj:1avd
PDBsum1avd
PubMed8515446
UniProtP02701|AVID_CHICK Avidin (Gene Name=AVD)

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