Structure of PDB 2vha Chain B Binding Site BS01

Receptor Information
>2vha Chain B (length=276) Species: 623 (Shigella flexneri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APAAGSTLDKIAKNGVIVVGHRESSVPFSYYDNQQKVVGYSQDYSNAIVE
AVKKKLNKPDLQVKLIPITSQNRIPLLQNGTFDFECGSTTNNVERQKQAA
FSDTIFVVGTRLLTKKGGDIKDFADLKGKAVVVTSGTTSEVLLNKLNEEQ
KMNMRIISAKDHGDSFRTLESGRAVAFMMDDALLAGERAKAKKPDNWDIV
GKPQSQEAYGCMLRKDDPQFKKLMDDTIAQVQTSGEAEKWFDKWFKNPIP
PKNLNMNFELSDEMKALFKEPNDKAL
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 chain2vha Chain A Residue 1280 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vha Crystal Structure of a Glutamate/Aspartate Binding Protein Complexed with a Glutamate Molecule: Structural Basis of Ligand Specificity at Atomic Resolution.
Resolution1.0 Å
Binding residue
(original residue number in PDB)		A277 L278
Binding residue
(residue number reindexed from 1)		A275 L276
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

View graph for
Cellular Component
External links
PDB RCSB:2vha, PDBe:2vha, PDBj:2vha
PDBsum2vha
PubMed18640128
UniProtA0A0H2UXX1

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