Structure of PDB 8t5n Chain A Binding Site BS02

Receptor Information
>8t5n Chain A (length=398) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVIDTVVNLAKRRGFVYPSGEIYGGTKSAWDYGPLGVELKENIKRQWWRS
VVTGRDDVVGIDSSIILPREVWVASGHVDVFHDPREFNMMLKTYLGPIET
EEGLHYLRPETAQGIFVNFANVVTTARKKPPFGIGQIGKSFRNEITPGNF
IFRTREFEQMEMEFFVEPATAKEWHQYWIDNRLQWYIDLGIRRENLRLWE
HPKDKLSHYSDRTVDIEYKFGFMGNPWGELEGVANRTDFDLSTHARHSGV
DLSFYDQINDVRYTPYVIEPAAGLTRSFMAFLIDAYTEDKRTVLRLDPRL
APVKAAVLPLSRHADLSPKARDLGAELRKCWNIDFDDAGAIGRRYRRQDE
VGTPFCVTVDFDSLQDNAVTVRERDAMTQDRVAMSSVADYLAVRLKGS
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain8t5n Chain A Residue 512 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8t5n Crystal Structure of Glycine--tRNA ligase from Mycobacterium tuberculosis (AMP-Mg bound)
Resolution1.65 Å
Binding residue
(original residue number in PDB)		R195 E197 F205 R206 T207 F210 Q212 E282 L283 A324 G326 R329
Binding residue
(residue number reindexed from 1)		R142 E144 F152 R153 T154 F157 Q159 E229 L230 A271 G273 R276
Annotation score5
Enzymatic activity
Enzyme Commision number 6.1.1.14: glycine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004081 bis(5'-nucleosyl)-tetraphosphatase (asymmetrical) activity
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004820 glycine-tRNA ligase activity
GO:0005524 ATP binding
GO:0046983 protein dimerization activity
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006426 glycyl-tRNA aminoacylation
GO:0015966 diadenosine tetraphosphate biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0070062 extracellular exosome
GO:1903561 extracellular vesicle
GO:1990742 microvesicle

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8t5n, PDBe:8t5n, PDBj:8t5n
PDBsum8t5n
PubMed
UniProtP9WFV7|SYG_MYCTU Glycine--tRNA ligase (Gene Name=glyQS)

[Back to BioLiP]