Structure of PDB 2ebh Chain X Binding Site BS01

Receptor Information
>2ebh Chain X (length=711) Species: 747 (Pasteurella multocida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LGGSPYSPFRIGLEGVWTPEVLKARASVIGKPIGESYKRILAKLQRIHNS
NILDERQGLMHELMELIDLYEESQPSSERLNAFRELRTQLEKALYLPEME
ALKKQILQIPNKGSGAARFLLRTAMNEMAGKTSESTADLIRFALQDTVIS
APFRGYAGAIPEAIDFPVKYVIEDISVFDKIQTNYWELPAYESWNEGSNS
ALLPGLLRESQSKGMLSKCRIIENSLYIGHSYEEMFYSISPYSNQVGGPY
ELYPFTFFSMLQEVQGDLGFEQAFATRNFFNTLVSDRLSLMENTMLLTES
FDYTPWDAIYGDINYDEQFAAMSINERIEKCMNTYRGVAFQNSSKSIDFF
LNNLTTFIDNGLTEIAISDLPYDIVQQEISQFLQGSNEWKTLDAMLFNLD
KGDINGAFRKLLQSAKDNNIKFRAIGHSDNSVPPFNNPYKSLYYKGNIIA
EAIEKLDREGQKFVVFADSSLLNSTPGTGRPMPGLVQYLKIPATVVDSDG
AWQFLPDVASSRVPIEVTELENWQVLTPPQGKILGLKQFKLTAGFPTEQS
RLPLLENSVSEDLREELMQKIDAIKNDVKMNSLVCMEAGSSDSVSPKVAA
RLKDMGLEAGMGASITWWRREGGMEFSHQMHTTASFKFAGKEFAVDASHL
QFVHDQLDTTILILPVDDWALEIAQRNRAINPFVEYVSKTGNMLALFMPP
LFTKPRLTRAL
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain2ebh Chain A Residue 1 [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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PDB2ebh Crystal structures reveal a thiol protease-like catalytic triad in the C-terminal region of Pasteurella multocida toxin
Resolution2.4 Å
Binding residue
(original residue number in PDB)		F727 R728
Binding residue
(residue number reindexed from 1)		F153 R154
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2ebh, PDBe:2ebh, PDBj:2ebh
PDBsum2ebh
PubMed17360394
UniProtP17452|TOXA_PASMD Dermonecrotic toxin (Gene Name=toxA)

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