Structure of PDB 2ia4 Chain B Binding Site BS01

Receptor Information
>2ia4 Chain B (length=278) Species: 198214 (Shigella flexneri 2a str. 301) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAPAAGSTLDKIAKNGVIVVGHRESSVPFSYYDNQQKVVGYSQDYSNAIV
EAVKKKLNKPDLQVKLIPITSQNRIPLLQNGTFDFECGSTTNNVERQKQA
AFSDTIFVVGTRLLTKKGGDIKDFADLKGKAVVVTSGTTSEVLLNKLNEE
QKMNMRIISAKDHGDSFRTLESGRAVAFMMDDALLAGERAKAKKPDNWDI
VGKPQSQEAYGCMLRKDDPQFKKLMDDTIAQVQTSGEAEKWFDKWFKNPI
PPKNLNMNFELSDEMKALFKEPNDKALN
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 chain2ia4 Chain B Residue 2401 [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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PDB2ia4 Structural and functional study of novel amino acid binding protein from Shigella flexneri
Resolution1.5 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)		R23 S71 R74 S89 T90 T91 R96 T138 T139 H163 M180 D181
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:2ia4, PDBe:2ia4, PDBj:2ia4
PDBsum2ia4
PubMed
UniProtA0A0H2UXX1

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