Structure of PDB 6h20 Chain A Binding Site BS01

Receptor Information
>6h20 Chain A (length=287) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPTPVGMEIMPPQPPLPPDSSSQDCDPTASLRPFATKAEADAAVADIRAR
GRLIVGLDIGSNLFSFRDPITGEITGFDVDIAGEVARDIFGVPSHVEYRI
LSAAERVTALQKSQVDIVVKTMSITCERRKLVNFSTVYLDANQRILAPRD
SPITKVSDLSGKRVCVARGTTSLRRIREIAPPPVIVSVVNWADCLVALQQ
REIDAVSTDDTILAGLVEEDPYLHIVGPDMADQPYGVGINLDNTGLVRFV
NGTLERIRNDGTWNTLYRKWLTVLGPAPAPPTPRYVD
Ligand information
Ligand IDASN
InChIInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChIKeyDCXYFEDJOCDNAF-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.370N[C@@H](CC(N)=O)C(O)=O
ACDLabs 12.01O=C(N)CC(N)C(=O)O
CACTVS 3.370N[CH](CC(N)=O)C(O)=O
OpenEye OEToolkits 1.7.2C(C(C(=O)O)N)C(=O)N
OpenEye OEToolkits 1.7.2C([C@@H](C(=O)O)N)C(=O)N
FormulaC4 H8 N2 O3
NameASPARAGINE
ChEMBLCHEMBL58832
DrugBankDB00174
ZINCZINC000001532556
PDB chain6h20 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6h20 An Aspartate-Specific Solute-Binding Protein Regulates Protein Kinase G Activity To Control Glutamate Metabolism in Mycobacteria.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		R147 T162 S164 R169 T211 T212 W232 D250
Binding residue
(residue number reindexed from 1)		R106 T121 S123 R128 T170 T171 W191 D209
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0005576 extracellular region
GO:0030288 outer membrane-bounded periplasmic space

View graph for
Cellular Component
External links
PDB RCSB:6h20, PDBe:6h20, PDBj:6h20
PDBsum6h20
PubMed30065086
UniProtP96257

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