Structure of PDB 2ebf Chain X Binding Site BS02

Receptor Information
>2ebf 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
RLPLLENSVSEDLREELMQKIDAIKNDVKMNSLVCMEAGSCDSVSPKVAA
RLKDMGLEAGMGASITWWRREGGMEFSHQMHTTASFKFAGKEFAVDASHL
QFVHDQLDTTILILPVDDWALEIAQRNRAINPFVEYVSKTGNMLALFMPP
LFTKPRLTRAL
Ligand information
Ligand ID2PO
InChIInChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-2
InChIKeyABLZXFCXXLZCGV-UHFFFAOYSA-L
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]P([O-])=O
CACTVS 3.341[O-][PH]([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)[O-]
FormulaH O3 P
NamePHOSPHONATE
ChEMBL
DrugBank
ZINC
PDB chain2ebf Chain X Residue 1327 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2ebf Crystal structures reveal a thiol protease-like catalytic triad in the C-terminal region of Pasteurella multocida toxin
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G1163 S1164 D1166
Binding residue
(residue number reindexed from 1)		G589 S590 D592
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2ebf, PDBe:2ebf, PDBj:2ebf
PDBsum2ebf
PubMed17360394
UniProtP17452|TOXA_PASMD Dermonecrotic toxin (Gene Name=toxA)

[Back to BioLiP]