Structure of PDB 3teh Chain A Binding Site BS01

Receptor Information
>3teh Chain A (length=266) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVDVSLPGASLFSGGLHPITLMERELVEIFRALGYQAVEGPEVESEFFNF
DALNIPEHHPARDMWDTFWLTGEGFRLEGPLGEEVEGRLLLRTHTSPMQV
RYMVAHTPPFRIVVPGRVFRFEQTDATHEAVFHQLEGLVVGEGIAMAHLK
GAIYELAQALFGPDSKVRFQPVYFPFVEPGAQFAVWWPEGGKWLELGGAG
MVHPKVFQAVDAYRERLGLPPAYRGVTGFAFGLGVERLAMLRYGIPDIRY
FFGGRLKFLEQFKGVL
Ligand information
Ligand IDDAH
InChIInChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
InChIKeyWTDRDQBEARUVNC-LURJTMIESA-N
SMILES
SoftwareSMILES
CACTVS 3.370N[CH](Cc1ccc(O)c(O)c1)C(O)=O
ACDLabs 12.01O=C(O)C(N)Cc1cc(O)c(O)cc1
OpenEye OEToolkits 1.7.2c1cc(c(cc1C[C@@H](C(=O)O)N)O)O
CACTVS 3.370N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O
OpenEye OEToolkits 1.7.2c1cc(c(cc1CC(C(=O)O)N)O)O
FormulaC9 H11 N O4
Name3,4-DIHYDROXYPHENYLALANINE;
L-DOPA
ChEMBLCHEMBL1009
DrugBankDB01235
ZINCZINC000000895199
PDB chain3teh Chain A Residue 351 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3teh Bacterial and Eukaryotic Phenylalanyl-tRNA Synthetases Catalyze Misaminoacylation of tRNA(Phe) with 3,4-Dihydroxy-L-Phenylalanine.
Resolution2.8524 Å
Binding residue
(original residue number in PDB)		H178 Q218 E220 F260 G282 A283 A314 F315 G316
Binding residue
(residue number reindexed from 1)		H94 Q134 E136 F176 G198 A199 A230 F231 G232
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) W149 H178 R204 Q218 V261 A314
Catalytic site (residue number reindexed from 1) W65 H94 R120 Q134 V177 A230
Enzyme Commision number 6.1.1.20: phenylalanine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0000166 nucleotide binding
GO:0000287 magnesium ion binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004826 phenylalanine-tRNA ligase activity
GO:0005524 ATP binding
GO:0046872 metal ion binding
Biological Process
GO:0006412 translation
GO:0006432 phenylalanyl-tRNA aminoacylation
GO:0043039 tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3teh, PDBe:3teh, PDBj:3teh
PDBsum3teh
PubMed22035791
UniProtP27001|SYFA_THETH Phenylalanine--tRNA ligase alpha subunit (Gene Name=pheS)

[Back to BioLiP]