Structure of PDB 2vha Chain A Binding Site BS01

Receptor Information
>2vha Chain A (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
Global viewLocal viewStructure summary

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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)		R24 S72 R75 S90 T91 T92 R97 T139 T140 H164 M181 D182
Binding residue
(residue number reindexed from 1)		R22 S70 R73 S88 T89 T90 R95 T137 T138 H162 M179 D180
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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