Structure of PDB 2ebh Chain X Binding Site BS02

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 ID

GLC

InChI

InChI=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

InChIKey

WQZGKKKJIJFFOK-DVKNGEFBSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341	OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341	OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04	OC1C(O)C(OC(O)C1O)CO

Formula

C6 H12 O6

Name

alpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose

PDB chain

2ebh Chain A Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	2ebh Crystal structures reveal a thiol protease-like catalytic triad in the C-terminal region of Pasteurella multocida toxin
Resolution	2.4 Å
Binding residue (original residue number in PDB)	F727 A731 R851
Binding residue (residue number reindexed from 1)	F153 A157 R277
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:2ebh, PDBe:2ebh, PDBj:2ebh
PDBsum	2ebh
PubMed	17360394
UniProt	P17452\|TOXA_PASMD Dermonecrotic toxin (Gene Name=toxA)

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