Structure of PDB 3ts1 Chain A Binding Site BS01

Receptor Information
>3ts1 Chain A (length=317) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDLLAELQWRGLVNQTTDEDGLRKLLNEERVTLYCGFDPTADSLHIGHLA
TILTMRRFQQAGHRPIALVGGATGLIGDPSGKKSERTLNAKETVEAWSAR
IKEQLGRFLDFEADGNPAKIKNNYDWIGPLDVITFLRDVGKHFSVNYMMA
KESVQSRIETGISFTEFSYMMLQAYDFLRLYETEGCRLQIGGSDQWGNIT
AGLELIRKTKGRAFGLTIPLVTKADGTKFGKTESGTIWLDKEKTSPYEFY
QFWINTDDRDVIRYLKYFTFLSKEEIEALEQELREAPEKRAAQKTLAEEV
TKLVHGEEALRQAIRIS
Ligand information
Ligand IDTYA
InChIInChI=1S/C19H25N6O8P/c20-11(5-10-1-3-12(26)4-2-10)6-31-34(29,30)32-7-13-15(27)16(28)19(33-13)25-9-24-14-17(21)22-8-23-18(14)25/h1-4,8-9,11,13,15-16,19,26-28H,5-7,20H2,(H,29,30)(H2,21,22,23)/p-1/t11-,13+,15+,16+,19+/m0/s1
InChIKeyJJLCVHBFTXDJMM-KFAHYOAQSA-M
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CO[P]([O-])(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)Cc4ccc(O)cc4
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(COP(=O)([O-])OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N)O
CACTVS 3.341N[C@H](CO[P]([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)Cc4ccc(O)cc4
ACDLabs 10.04[O-]P(=O)(OCC(N)Cc1ccc(O)cc1)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](CO[P@@](=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O
FormulaC19 H24 N6 O8 P
NamePHOSPHORIC ACID 2-AMINO-3-(4-HYDROXY-PHENYL)-PROPYL ESTER ADENOSIN-5'YL ESTER
ChEMBL
DrugBank
ZINC
PDB chain3ts1 Chain A Residue 420 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ts1 Structure of tyrosyl-tRNA synthetase refined at 2.3 A resolution. Interaction of the enzyme with the tyrosyl adenylate intermediate.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Y34 G36 D38 G47 H48 L68 T73 D78 Y169 Q173 D176 G192 Q195 L222
Binding residue
(residue number reindexed from 1)		Y34 G36 D38 G47 H48 L68 T73 D78 Y169 Q173 D176 G192 Q195 L220
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) T40 H45 H48 K82 R86 Q173 D194 K230 K233 T234
Catalytic site (residue number reindexed from 1) T40 H45 H48 K82 R86 Q173 D194 K228 K231 T232
Enzyme Commision number 6.1.1.1: tyrosine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0000166 nucleotide binding
GO:0003723 RNA binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004831 tyrosine-tRNA ligase activity
GO:0005524 ATP binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006437 tyrosyl-tRNA aminoacylation
GO:0043039 tRNA aminoacylation
GO:0061635 regulation of protein complex stability
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ts1, PDBe:3ts1, PDBj:3ts1
PDBsum3ts1
PubMed2504923
UniProtP00952|SYY_GEOSE Tyrosine--tRNA ligase (Gene Name=tyrS)

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