Structure of PDB 1y52 Chain X Binding Site BS01

Receptor Information
>1y52 Chain X (length=120) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KCSLTGKWTNNLGSIMTIRAVNSRGEFTGTYLTAVADNPGNITLSPLLGI
QHKRASQPTFGFTVHWNFSESTTVFTGQCFIDRNGKEVLKTMWLLRSSVN
DISYDWKATRVGYNNFTRLS
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 chain1y52 Chain X Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1y52 High-resolution crystal structure of an avidin-related protein: insight into high-affinity biotin binding and protein stability.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		L14 S16 Y33 T35 V37 A38 W68 F70 S71 T75 W95
Binding residue
(residue number reindexed from 1)		L12 S14 Y31 T33 V35 A36 W66 F68 S69 T73 W93
Annotation score4
Binding affinityMOAD: Kd=0.000000064M
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:1y52, PDBe:1y52, PDBj:1y52
PDBsum1y52
PubMed15858262
UniProtP56734|AVR4_CHICK Avidin-related protein 4/5 (Gene Name=AVR4)

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