Structure of PDB 3teg Chain A Binding Site BS01

Receptor Information
>3teg Chain A (length=405) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGSVVELLGKSYPQDDHSNLTRKVLTRVGRNLHNQQHHPLWLIKERVKEH
FYKQYVGRFGTPLFSVYDNLSPVVTTWQNFDSLLIPADHPSRKKGDNYYL
NRTHMLRAHTSAHQWDLLHAGLDAFLVVGDVYRRDQIDSQHYPIFHQLEA
VRLFSKHELFAGIKDGESLQLFEQSSRSAHKQETHTMEAVKLVEFDLKQT
LTRLMAHLFGDELEIRWVDCYFPFTHPSFEMEINFHGEWLEVLGCGVMEQ
QLVNSAGAQDRIGWAFGLGLERLAMILYDIPDIRLFWCEDERFLKQFCVS
NINQKVKFQPLSKYPAVINDISFWLPSENYAENDFYDLVRTIGGDLVEKV
DLIDKFVHPKTHKTSHCYRITYRHMERTLSQREVRHIHQALQEAAVQLLG
VEGRF
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 chain3teg Chain A Residue 416 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3teg Bacterial and Eukaryotic Phenylalanyl-tRNA Synthetases Catalyze Misaminoacylation of tRNA(Phe) with 3,4-Dihydroxy-L-Phenylalanine.
Resolution2.2044 Å
Binding residue
(original residue number in PDB)		H119 S121 R143 Q157 E159 F232 F234 G254 C255 A275 F276 G277
Binding residue
(residue number reindexed from 1)		H109 S111 R133 Q147 E149 F222 F224 G244 C245 A265 F266 G267
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) G105 H119 R143 Q157 T235 A275
Catalytic site (residue number reindexed from 1) G95 H109 R133 Q147 T225 A265
Enzyme Commision number 6.1.1.20: phenylalanine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004826 phenylalanine-tRNA ligase activity
GO:0005515 protein binding
GO:0005524 ATP binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006432 phenylalanyl-tRNA aminoacylation
GO:0008033 tRNA processing
GO:0043039 tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3teg, PDBe:3teg, PDBj:3teg
PDBsum3teg
PubMed22035791
UniProtO95363|SYFM_HUMAN Phenylalanine--tRNA ligase, mitochondrial (Gene Name=FARS2)

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