Structure of PDB 2v25 Chain B Binding Site BS01

Receptor Information
>2v25 Chain B (length=231) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKLESIKSKGQLIVGVKNDVPHYALLDQATGEIKGFEVDVAKLLAKSILG
DDKKIKLVAVNAKTRGPLLDNGSVDAVIATFTITPERKRIYNFSEPYYQD
AIGLLVLKEKKYKSLADMKGANIGVAQAATTKKAIGEAAKKIGIDVKFSE
FPDYPSIKAALDAKRVDAFSVDKSILLGYVDDKSEILPDSFEPQSYGIVT
KKDDPAFAKYVDDFVKEHKNEIDALAKKWGL
Ligand information
Ligand IDASP
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CC(N)C(=O)O
FormulaC4 H7 N O4
NameASPARTIC ACID
ChEMBLCHEMBL274323
DrugBankDB00128
ZINCZINC000000895032
PDB chain2v25 Chain B Residue 1234 [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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PDB2v25 A Bacterial Virulence Factor with a Dual Role as an Adhesin and a Solute Binding-Protein: The Crystal Structure at 1.5 A Resolution of the Peb1A Protein from the Food-Borne Human Pathogen Campylobacter Jejuni
Resolution1.49 Å
Binding residue
(original residue number in PDB)		K19 R67 T82 T84 R89 A131 T132 Y156 D174 I177
Binding residue
(residue number reindexed from 1)		K17 R65 T80 T82 R87 A129 T130 Y154 D172 I175
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2v25, PDBe:2v25, PDBj:2v25
PDBsum2v25
PubMed17631313
UniProtQ0P9X8|PEB1A_CAMJE Major cell-binding factor (Gene Name=peb1A)

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