Structure of PDB 4rdx Chain A Binding Site BS02

Receptor Information
>4rdx Chain A (length=409) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TARAVRGTKDLFGKELRMHQRIVATARKVLEAAGALELVTPIFEETQVFE
KEMFTFQDRGGRSLTLRPEGTAAMVRAYLEHGMKVWPQPVRLWMAGPMFR
AERPQKGRYRQFHQVNYEALGSENPILDAEAVVLLYECLKELGLRRLKVK
LSSVGDPEDRARYNAYLREVLSPHREALSEDSKERLELNPMRILDSKSER
DQALLKELGVRPMLDFLGEEARAHLKEVERHLERLSVPYELEPALVRGLD
YYVRTAFEVHHEEIGAQSALGGGGRYDGLSELLGGPRVPGVGFAFGVERV
ALALEAEGFGLPEEKGPDLYLIPLTEEAVAEAFYLAEALRPRLRAEYALA
PRKPAKGLEEALKRGAAFAGFLGEDELRAGEVTLKRLATGEQVRLSREEV
PGYLLQALG
Ligand information
Ligand IDAMP
InChIInChI=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
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain4rdx Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rdx Structural basis for recognition of G-1-containing tRNA by histidyl-tRNA synthetase
Resolution2.55 Å
Binding residue
(original residue number in PDB)		R112 R120 Y121 F124 Q126 A281 L282 G283 G308 R311
Binding residue
(residue number reindexed from 1)		R100 R108 Y109 F112 Q114 A269 L270 G271 G296 R299
Annotation score5
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
Biological Process
GO:0006412 translation
GO:0006427 histidyl-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:4rdx, PDBe:4rdx, PDBj:4rdx
PDBsum4rdx
PubMed25722375
UniProtP62374|SYH_THET2 Histidine--tRNA ligase (Gene Name=hisS)

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