Structure of PDB 8slf Chain B Binding Site BS01

Receptor Information
>8slf Chain B (length=436) Species: 1078020 (Mycolicibacterium thermoresistibile ATCC 19527) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASIIDTVANLAKRRGFVYQSGEIYGGTRSAWDYGPLGVELKENIKRQWWK
SMVTAREDVVGIDTSIILPREVWVASGHVDVFHDPLVECLNCHRRHRQDH
VVCPDCGTWTEPREFNMMLKTYLGPIESDEGLHYLRPETAQGIFTNFANV
VTTARKKPPFGIAQTGKSFRNEITPGNFIFRTREFEQMEMEFFVEPSTAK
EWHQYWIDTRLQWYVDLGIDRDNLRLYEHPPEKLSHYAERTVDIEYKYGF
AGDPWGELEGIANRTDFDLSTHSKHSGVDLSYYDQATDTRYVPYVIEPAA
GLTRSLMAFLIDAYSEDEAPNAKGGVDKRTVLRFDPRLAPVKVAVLPLSR
HADLSPKARDLAAELRQHWNVEFDDAGAIGRRYRRQDEVGTPYCVTVDFD
SLEDNAVTVRERDSMAQERISIDQVTDYLAVRLKGC
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 chain8slf Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8slf Crystal Structure of Glycine tRNA ligase from Mycobacterium thermoresistibile (AMP bound)
Resolution2.9 Å
Binding residue
(original residue number in PDB)		R195 F205 T207 F210 E282 L283 E284 A324 G326 R329
Binding residue
(residue number reindexed from 1)		R170 F180 T182 F185 E257 L258 E259 A299 G301 R304
Annotation score5
Enzymatic activity
Enzyme Commision number 6.1.1.14: glycine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004820 glycine-tRNA ligase activity
GO:0005524 ATP binding
GO:0046872 metal ion binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006426 glycyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8slf, PDBe:8slf, PDBj:8slf
PDBsum8slf
PubMed
UniProtG7CIG9

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