Structure of PDB 6rim Chain B Binding Site BS01

Receptor Information
>6rim Chain B (length=442) Species: 1129792 (Weissella oryzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVLEMFDVNYESPILESFDSTTQSLNDVHVFMSRIQMSAYDADGEGRIEY
RNLKLYEISSGIFISTDRLDTGASGVEDDHEMVDYYSSARLTREFLGESL
DSQKSDYFEGIKKVFSFYKNKCNESRYIKEFFEEIQFRNICGFPKQAGTS
STDIFDQFNSVDVLLQDPVTSVWNKKVGSKKANIVIIPPATNLPITEACA
TAGFQPEGFPKLGSGSFFTVQFDPFFSTRFKADVALLDPTLTLLHEMTHG
LHFQKGIANPVNRSGETPAWATTWKETPMEELLTFNKHTIDDDIEISDHL
KSTYIGFLYNGRNEDDPTESVDGVYQNVSSFLNQYRGFEISSDFQHFIES
CYGVKYNQESKKFIVNPRNIKRYVQDGFFIDEAKFARILNIKTRSYYTLM
PDNLGVWSYRVDILNRLRETFDEDRGLLSQELDFHTALTPVV
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6rim Chain B Residue 501 [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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PDB6rim Crystal structure of the catalytic domain of the Weissella oryzae botulinum-like toxin.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H250 H254 E296
Binding residue
(residue number reindexed from 1)		H245 H249 E281
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.69: bontoxilysin.
External links
PDB RCSB:6rim, PDBe:6rim, PDBj:6rim
PDBsum6rim
PubMed31111466
UniProtA0A069CUU9|BXWO_WEIOS Putative botulinum-like toxin Wo (Gene Name=WOSG25_110680)

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