Structure of PDB 5owf Chain A Binding Site BS01

Receptor Information
>5owf Chain A (length=235) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTVRIGTDTTYAPFSSKDAKGEFIGFDIDLGNEMCKRMQVKCTWVASDFD
ALIPSLKAKKIDAIISSLSITDKRQQEIAFSDKLYAADSRLIAAKGSPIQ
PTLESLKGKHVGVKQGSTQEAYANDNWRTKGVDVVAYANQDLIYSDLTAG
RLDAALQDEVAASEGFLKQPAGKEYAFAGPSVKDKKYFGDGTGVGLRKDD
TELKAAFDKALTELRQDGTYDKMAKKYFDFNVYGD
Ligand information
Ligand IDGLN
InChIInChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
InChIKeyZDXPYRJPNDTMRX-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)N)C(C(=O)O)N
OpenEye OEToolkits 1.5.0C(CC(=O)N)[C@@H](C(=O)O)N
ACDLabs 10.04O=C(N)CCC(N)C(=O)O
CACTVS 3.341N[CH](CCC(N)=O)C(O)=O
CACTVS 3.341N[C@@H](CCC(N)=O)C(O)=O
FormulaC5 H10 N2 O3
NameGLUTAMINE
ChEMBLCHEMBL930
DrugBankDB00130
ZINCZINC000001532526
PDB chain5owf Chain A Residue 320 [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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PDB5owf Redesign of LAOBP to bind novel l-amino acid ligands.
Resolution1.91 Å
Binding residue
(original residue number in PDB)		Y35 F73 S90 S91 S93 R98 K138 S141 T142 D182
Binding residue
(residue number reindexed from 1)		Y11 F49 S66 S67 S69 R74 K114 S117 T118 D158
Annotation score4
Binding affinityMOAD: Kd=1.59uM
PDBbind-CN: -logKd/Ki=5.80,Kd=1.59uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006865 amino acid transport
GO:0071705 nitrogen compound transport
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space

View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:5owf, PDBe:5owf, PDBj:5owf
PDBsum5owf
PubMed29524280
UniProtP02911|ARGT_SALTY Lysine/arginine/ornithine-binding periplasmic protein (Gene Name=argT)

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