Structure of PDB 2dvz Chain A Binding Site BS01

Receptor Information
>2dvz Chain A (length=300) Species: 520 (Bordetella pertussis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AYPSKAIRVIVPFAPGGSTDIIARLVTQRMSQELGQPMVVENKGGAGGAI
GASEAARAEPDGYTLSIATVSTMAVNPACRPKDLPYDPIKDFQPVTNFAN
TANVVAVNPKFPAKDFKGFLEELKKNPGKYSYGSSGTCGVLHLMGESFKM
ATGTDIVHVPYKGSGPAVADAVGGQIELIFDNLPSSMPQIQAGKLRAMAI
AWPTRIDAIKDVPTFADAGFPVLNQPVWYGLLAPKGTPMDVVNKLRDAAV
VALKDPKVIKALDDQGSAPSGNTPEEFAKEIKEQYDWAQDVVKKQNIKLD
Ligand information
Ligand IDGLU
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameGLUTAMIC ACID
ChEMBLCHEMBL575060
DrugBankDB00142
ZINCZINC000001482113
PDB chain2dvz Chain A Residue 1055 [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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PDB2dvz Structural analysis of Bordetella pertussis BugE solute receptor in a bound conformation
Resolution2.3 Å
Binding residue
(original residue number in PDB)		F27 T33 S85 S149 V154 L155 G177 N196 Y243
Binding residue
(residue number reindexed from 1)		F13 T19 S71 S135 V140 L141 G163 N182 Y229
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links