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BioLiP

Structure of PDB 7p8z Chain C Binding Site BS01

Receptor Information
>7p8z Chain C (length=107) Species: 1913989 (Gammaproteobacteria bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSAWTNQSGSTLYIQSVDPSGSLSGYYINRAAGYGCQNTPYPVTGWVYGT
AITFTVLWENATESCNSITAWTGFYYQGQITTLWQLVINGSTSTGQIISG
EDIFKPS
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 chain7p8z Chain C Residue 201 [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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PDB7p8z Wilavidin - a novel member of the avidin family that forms unique biotin-binding hexamers.
Resolution1.67 Å
Binding residue
(original residue number in PDB)		N17 S21 Y38 N40 Y45 G46 W69 C76 S78 T80 W82 W95 D113
Binding residue
(residue number reindexed from 1)		N6 S10 Y27 N29 Y34 G35 W58 C65 S67 T69 W71 W84 D102
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links

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