Structure of PDB 1o0c Chain A Binding Site BS03
Receptor Information
>1o0c Chain A (length=529) Species:
562
(Escherichia coli) [
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TNFIRQIIDEDLASGKHTTVHTRFPPEPNGYLHIGHAKSICLNFGIAQDY
KGQCNLRFDDTNPVKEDIEYVESIKNDVEWLGFHWSGNVRYSSDYFDQLH
AYAIELINKGLAYVDELTPEQIREYRGTLTQPGKNSPYRDRSVEENLALF
EKMRAGGFEEGKACLRAKIDMASPFIVMRDPVLYRIKFAEHHQTGNKWCI
YPMYDFTHCISDALEGITHSLCTLEFQDNRRLYDWVLDNITIPVHPRQYE
FSRLNLEYTVMSKRKLNLLVTDKHVEGWDDPRMPTISGLRRRGYTAASIR
EFCKRIGVTKQDNTIEMASLESCIREDLNENAPRAMAVIDPVKLVIENYQ
GEGEMVTMPNHPNKPEMGSRQVPFSGEIWIDRADFREEANKQYKRLVLGK
EVRLRNAYVIKAERVEKDAEGNITTIFCTYDADTLGVIHWVSAAHALPVE
IRLYDRLFSVPNPGAADDFLSVINPESLVIKQGFAEPSLKDAVAGKAFQF
EREGYFCLDSRHSTAEKPVFNRTVGLRDT
Ligand information
Ligand ID
AMP
InChI
InChI=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
InChIKey
UDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
Software
SMILES
CACTVS 3.370
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01
O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
Formula
C10 H14 N5 O7 P
Name
ADENOSINE MONOPHOSPHATE
ChEMBL
CHEMBL752
DrugBank
DB00131
ZINC
ZINC000003860156
PDB chain
1o0c Chain A Residue 998 [
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Receptor-Ligand Complex Structure
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PDB
1o0c
Amino Acid Discrimination by a class I aminoacyl-tRNA synthetase specified by negative determinants
Resolution
2.7 Å
Binding residue
(original residue number in PDB)
F31 P33 H40 G42 H43 S46 T230 R260 L261 K270
Binding residue
(residue number reindexed from 1)
F24 P26 H33 G35 H36 S39 T223 R253 L254 K263
Annotation score
5
Enzymatic activity
Enzyme Commision number
6.1.1.18
: glutamine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166
nucleotide binding
GO:0004812
aminoacyl-tRNA ligase activity
GO:0004819
glutamine-tRNA ligase activity
GO:0005524
ATP binding
Biological Process
GO:0006412
translation
GO:0006418
tRNA aminoacylation for protein translation
GO:0006424
glutamyl-tRNA aminoacylation
GO:0006425
glutaminyl-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:1o0c
,
PDBe:1o0c
,
PDBj:1o0c
PDBsum
1o0c
PubMed
12691748
UniProt
P00962
|SYQ_ECOLI Glutamine--tRNA ligase (Gene Name=glnS)
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