Structure of PDB 2pfy Chain D Binding Site BS01

Receptor Information
>2pfy Chain D (length=301) Species: 257313 (Bordetella pertussis Tohama I) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATSWTMTAEQPDANYLTQNARQFADEVKAATAGALEIKVQSNSTLLKRPE
VKRGVQQGVVQIGEVLVSALGNEDPLFEIDSVPFLASSFNESEKLWKATR
PLLAQRLDKQGIVLVYGSPWPPQGIYTKKPVAALADLKGTRFRAYSASTS
HMAALMGAVPTTVQTPEVPQAFSTGVIDAMLTSPATGVDSQAWDYVKYYY
DAQAFIPQSFVIANKRAFQRLPAEVRQAVLDAGAKAEIRGWQTARAKTRE
LTDTLARNGMSVEPLPPQLAKELQAIGATMVSDWSKKAGADGQQLLDAYR
K
Ligand information
Ligand IDPCA
InChIInChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKeyODHCTXKNWHHXJC-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CC(=O)N[C@@H]1C(=O)O
CACTVS 3.341OC(=O)[CH]1CCC(=O)N1
ACDLabs 10.04O=C(O)C1NC(=O)CC1
CACTVS 3.341OC(=O)[C@@H]1CCC(=O)N1
OpenEye OEToolkits 1.5.0C1CC(=O)NC1C(=O)O
FormulaC5 H7 N O3
NamePYROGLUTAMIC ACID
ChEMBLCHEMBL397976
DrugBankDB03088
ZINCZINC000003598263
PDB chain2pfy Chain D Residue 302 [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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PDB2pfy Crystal Structures of two Bordetella pertussis Periplasmic Receptors Contribute to Defining a Novel Pyroglutamic Acid Binding DctP Subfamily.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		R48 W120 Q123 R143 Y145 T165 T182 S183 T186
Binding residue
(residue number reindexed from 1)		R48 W120 Q123 R143 Y145 T165 T182 S183 T186
Annotation score4
Binding affinityMOAD: Kd=0.3uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0055085 transmembrane transport

View graph for
Biological Process
External links
PDB RCSB:2pfy, PDBe:2pfy, PDBj:2pfy
PDBsum2pfy
PubMed17499270
UniProtQ7VXB1

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