Structure of PDB 2uyw Chain A Binding Site BS01

Receptor Information
>2uyw Chain A (length=119) Species: 8364 (Xenopus tropicalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKCNLQGQWRNKLGSNLIIESVSQNGEFTGTYFTSVSLTNSTIRISPLTG
YQKLTEKPTFGFTVHWAFSDSITVWTGQCFLNEKGEEILHTMWLLRSSQE
KEQDNWTGTRVGANTFTRL
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 chain2uyw Chain A Residue 1123 [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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PDB2uyw Structural and Functional Characteristics of Xenavidin, the First Frog Avidin from Xenopus Tropicalis.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		L16 S18 Y35 T37 V39 S40 L41 W69 F71 S72 S74 T76 W78 W96
Binding residue
(residue number reindexed from 1)		L13 S15 Y32 T34 V36 S37 L38 W66 F68 S69 S71 T73 W75 W93
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=13.00,Kd=0.1pM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:2uyw, PDBe:2uyw, PDBj:2uyw
PDBsum2uyw
PubMed19788720
UniProtA7YYL1

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