Structure of PDB 7ouq Chain A Binding Site BS01

Receptor Information
>7ouq Chain A (length=119) Species: 1913989 (Gammaproteobacteria bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGGVQALSAWTNQSGSTLYIQSVDPSGSLSGYYINRAAGYGCQNTPYPVT
GWVYGTAITFTVLWENATESCNSITAWTGFYYQGQITTLWQLVINGSTST
GQIISGEDIFKPSQQKKSK
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 chain7ouq Chain A 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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PDB7ouq Wilavidin - a novel member of the avidin family that forms unique biotin-binding hexamers.
Resolution2.63 Å
Binding residue
(original residue number in PDB)		N17 S21 Y38 N40 Y45 G46 W69 C76 T80 W82 W95 D113
Binding residue
(residue number reindexed from 1)		N12 S16 Y33 N35 Y40 G41 W64 C71 T75 W77 W90 D108
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:7ouq, PDBe:7ouq, PDBj:7ouq
PDBsum7ouq
PubMed34726340
UniProtA0A3A4VWA2

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