Structure of PDB 8slg Chain B Binding Site BS01

Receptor Information
>8slg Chain B (length=447) 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
LQEVPMDEVVCPDCGTKGRWTEPREFNMMLKTYLGPIESDEGLHYLRPET
AQGIFTNFANVVTTARKKPPFGIAQTGKSFRNEITPGNFIFRTREFEQME
MEFFVEPSTAKEWHQYWIDTRLQWYVDLGIDRDNLRLYEHPPEKLSHYAE
RTVDIEYKYGFAGDPWGELEGIANRTDFDLSTHSKHSGVDLSYYDQATDT
RYVPYVIEPAAGLTRSLMAFLIDAYSEDEAPNAKGGVDKRTVLRFDPRLA
PVKVAVLPLSRHADLSPKARDLAAELRQHWNVEFDDAGAIGRRYRRQDEV
GTPYCVTVDFDSLEDNAVTVRERDSMAQERISIDQVTDYLAVRLKGC
Ligand information
Ligand IDG5A
InChIInChI=1S/C12H17N7O7S/c13-1-6(20)18-27(23,24)25-2-5-8(21)9(22)12(26-5)19-4-17-7-10(14)15-3-16-11(7)19/h3-5,8-9,12,21-22H,1-2,13H2,(H,18,20)(H2,14,15,16)/t5-,8-,9-,12-/m1/s1
InChIKeyAMWPZASLDLLQFT-JJNLEZRASA-N
SMILES
SoftwareSMILES
ACDLabs 11.02O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)CN
CACTVS 3.352NCC(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)CN)O)O)N
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N
CACTVS 3.352NCC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
FormulaC12 H17 N7 O7 S
Name5'-O-(glycylsulfamoyl)adenosine
ChEMBLCHEMBL1163073
DrugBank
ZINCZINC000014967098
PDB chain8slg Chain B Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8slg Crystal Structure of Glycine tRNA ligase from Mycobacterium thermoresistibile (glycyl adenylate bound)
Resolution1.95 Å
Binding residue
(original residue number in PDB)		E163 R195 T207 F210 Q212 E214 Y262 E282 L283 E322 A324 G326 R329
Binding residue
(residue number reindexed from 1)		E149 R181 T193 F196 Q198 E200 Y248 E268 L269 E308 A310 G312 R315
Annotation score3
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:8slg, PDBe:8slg, PDBj:8slg
PDBsum8slg
PubMed
UniProtG7CIG9

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