Structure of PDB 1htt Chain D Binding Site BS02
Receptor Information
>1htt Chain D (length=357) Species:
562
(Escherichia coli) [
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NIQAIRGMNDYLPGETAIWQRIEGTLKNVLGSYGYSEIRLPIVEQTPLFK
RAIGEVTDVVEKEMYTFEDRNGDSLTLRPEGTAGCVRAGIEHGLLYNQEQ
RLWYIGPMFRHERPQKGRYRQFHQLGCEVFGLQGPDIDAELIMLTARWWR
ALGISEHVTLELNSIGDEESREHFAGLCKLLESAGIAYTVNQRLVRGLDY
YNRTVFEWVTNQGTVCAGGRYDGLVEQLGGRATPAVGFAMGLERLVLLVQ
AVNPEFKADPVVDIYLVASGADTQSAAMALAERLRDELPGVKLMTNHGGG
NFKKQFARADKWGARVAVVLGESEVANGTAVVKDLRSGEQTAVAQDSVAA
HLRTLLG
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
1htt Chain D Residue 451 [
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Receptor-Ligand Complex Structure
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PDB
1htt
Crystal structure of histidyl-tRNA synthetase from Escherichia coli complexed with histidyl-adenylate.
Resolution
2.6 Å
Binding residue
(original residue number in PDB)
R113 E115 G120 R121 Y122 F125 Q127 R259 T281 V282 G308 R311
Binding residue
(residue number reindexed from 1)
R110 E112 G117 R118 Y119 F122 Q124 R196 T214 V215 G241 R244
Annotation score
5
Enzymatic activity
Enzyme Commision number
6.1.1.21
: histidine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0004812
aminoacyl-tRNA ligase activity
GO:0004821
histidine-tRNA ligase activity
GO:0005524
ATP binding
GO:0042803
protein homodimerization activity
Biological Process
GO:0006412
translation
GO:0006427
histidyl-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:1htt
,
PDBe:1htt
,
PDBj:1htt
PDBsum
1htt
PubMed
7556055
UniProt
P60906
|SYH_ECOLI Histidine--tRNA ligase (Gene Name=hisS)
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