Structure of PDB 3afh Chain A Binding Site BS01

Receptor Information
>3afh Chain A (length=463) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVRVRFAPSPTGHLHVGGARTALFNWMFARKEGGKFILRIEDTDTERSSR
EYEQQILESLRWCGLDWDEGPDIGGDFGPYRQSERLEIYREYAEKLVEDK
RAYYVVYDKEDPSKELFTTYEYPHEYKEKGHPVTIKFKVLPGKTSFEDLL
KGYMEFDNSTLEDFIIMKSNGFPTYNFAVVVDDHLMRISHVFRGEDHLSN
TPKQLMIYEAFGWEAPVFMHIPLILGSDRTPLSKRHGATSVEHFRREGIL
SRALMNYLALLGWRVEGDEIFTIEEKLQSFDPKDISNKGVIFDYQKLEWV
NGKHMRRIDLEDLKREFIEWAKYAGKEIPSVDERYFSETLRICREKVNTL
SQLYDIMYPFMNDDYEYEKDYVEKFLKREEAERVLEEAKKAFKDLNSWNM
EEIEKTLRDLSEKGLASKKVVFQLIRGAVTGKLVTPGLFETIEVLGKERT
LKRLERTLQFLKK
Ligand information
Ligand IDGSU
InChIInChI=1S/C15H21N7O9S/c16-6(1-2-8(23)24)14(27)21-32(28,29)30-3-7-10(25)11(26)15(31-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-7,10-11,15,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H2,17,18,19)/t6-,7+,10+,11+,15+/m0/s1
InChIKeyYBRKRYFZKHICLS-WERHYGNASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CCC(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCC(O)=O)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N
CACTVS 3.341N[CH](CCC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
ACDLabs 10.04O=C(O)CCC(N)C(=O)NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H21 N7 O9 S
NameO5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE
ChEMBLCHEMBL1163071
DrugBank
ZINCZINC000014967046
PDB chain3afh Chain A Residue 2001 [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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PDB3afh Structure of nondiscriminating glutamyl-tRNA synthetase from Thermotoga maritima
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R28 A30 S32 G40 E64 R216 G217 D219 H220 L246 I247
Binding residue
(residue number reindexed from 1)		R5 A7 S9 G17 E41 R193 G194 D196 H197 L223 I224
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) S32 K257
Catalytic site (residue number reindexed from 1) S9 K234
Enzyme Commision number 6.1.1.17: glutamate--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004818 glutamate-tRNA ligase activity
GO:0005524 ATP binding
GO:0008270 zinc ion binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006424 glutamyl-tRNA aminoacylation
GO:0043039 tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3afh, PDBe:3afh, PDBj:3afh
PDBsum3afh
PubMed20606262
UniProtQ9X2I8|SYE2_THEMA Glutamate--tRNA ligase 2 (Gene Name=gltX2)

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