Structure of PDB 2cv2 Chain B Binding Site BS02

Receptor Information
>2cv2 Chain B (length=468) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVVTRIAPSPTGDPHVGTAYIALFNYAWARRNGGRFIVRIEDTDRARYVP
GAEERILAALKWLGLSYDEGPDVGGPHGPYRQSERLPLYQKYAEELLKRG
WAYRAFETPEELEQIRKEKGGYDGRARNIPPEEAEERARRGEPHVIRLKV
PRPGTTEVKDELRGVVVYDNQEIPDVVLLKSDGYPTYHLANVVDDHLMGV
TDVIRAEEWLVSTPIHVLLYRAFGWEAPRFYHMPLLRNPDKTKISKRKSH
TSLDWYKAEGFLPEALRNYLCLMGFSMPDGREIFTLEEFIQAFTWERVSL
GGPVFDLEKLRWMNGKYIREVLSLEEVAERVKPFLREAGLSWESEAYLRR
AVELMRPRFDTLKEFPEKARYLFTEDYPVSEKAQRKLEEGLPLLKELYPR
LRAQEEWTEAALEALLRGFAAEKGVKLGQVAQPLRAALTGSLETPGLFEI
LALLGKERALRRLERALA
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 chain2cv2 Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2cv2 Structural bases of transfer RNA-dependent amino acid recognition and activation by glutamyl-tRNA synthetase
Resolution2.69 Å
Binding residue
(original residue number in PDB)		R5 A7 S9 I21 E41 Y187 R205 A206 E208 W209 L235 L236
Binding residue
(residue number reindexed from 1)		R5 A7 S9 I21 E41 Y187 R205 A206 E208 W209 L235 L236
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) K246
Catalytic site (residue number reindexed from 1) K246
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
View graph for
Cellular Component
External links
PDB RCSB:2cv2, PDBe:2cv2, PDBj:2cv2
PDBsum2cv2
PubMed17161369
UniProtP27000|SYE_THET8 Glutamate--tRNA ligase (Gene Name=gltX)

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