Structure of PDB 4bcs Chain B Binding Site BS01

Receptor Information
>4bcs Chain B (length=119) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KCSLTGKWTDDLGSNMTIGAVNSRGEFTGTYITAVADNPGNITLSPLLGI
QHKRASQPTFGFTVNWKFSESTTVFTGQCFIDRNGKEVLKTMWLLRSSVN
DISDDWIATRVGINIFTRQ
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 chain4bcs Chain B Residue 1128 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4bcs A Novel Chimeric Avidin with Increased Thermal Stability Using DNA Shuffling.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D12 S16 Y33 T35 V37 A38 D39 W68 T75 W95 N116
Binding residue
(residue number reindexed from 1)		D10 S14 Y31 T33 V35 A36 D37 W66 T73 W93 N114
Annotation score4
Binding affinityMOAD: Kd=103nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:4bcs, PDBe:4bcs, PDBj:4bcs
PDBsum4bcs
PubMed24632863
UniProtP56734|AVR4_CHICK Avidin-related protein 4/5 (Gene Name=AVR4)

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