Structure of PDB 3p0i Chain B Binding Site BS01

Receptor Information
>3p0i Chain B (length=536) Species: 5664 (Leishmania major) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHMNTDERYKLLRSVGEECIQESELRNLIEKKPLIRCYDGFEPSGRMHIA
QGIFKAVNVNKCTAAGCEFVFWVADWFALMNDKVGGELEKIRIVGRYLIE
VWKAAGMDMDKVLFLWSSEEITSHADTYWRMVLDIGRQNTIARIKKCCTI
MGKTEGTLTAAQVLYPLMQCCDIFFLKADICQLGLDQRKVNMLAREYCDL
IGRKLKPVILSHHMLAGLKQGQAKMSKSDPDSAIFMEDTEEDVARKIRQA
YCPRVKQSASAITDDGAPVATDDRNPVLDYFQCVVYARPGAAATIDGTTY
ATYEDLEQAFVSDEVSEDALKSCLIDEVNALLEPVRQHFASNEEAHELLE
AVKSYRKALPAAPAKPHACMWMPALLKVPLDVAEGMIKVTKDFIAAHPEG
TVTLVLPDWSAVASDEITGVEKDISAALQVNCALLKAYGLPSSVKIVTEN
EVILGNCDDFWVSVIGIARKNLLSHVEELYGGEVRNAGQVIAALMRVATA
LMLSVSHVISTSLDGHINAFAREYTKERIDCVQTLE
Ligand information
Ligand IDTYE
InChIInChI=1S/C9H13NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,8,11-12H,5-6,10H2/t8-/m0/s1
InChIKeyDBLDQZASZZMNSL-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(ccc1CC(CO)N)O
CACTVS 3.370N[CH](CO)Cc1ccc(O)cc1
ACDLabs 12.01Oc1ccc(cc1)CC(N)CO
CACTVS 3.370N[C@H](CO)Cc1ccc(O)cc1
OpenEye OEToolkits 1.7.0c1cc(ccc1C[C@@H](CO)N)O
FormulaC9 H13 N O2
Name4-[(2S)-2-amino-3-hydroxypropyl]phenol;
tyrosinol;
bound form of TYROSINAL
ChEMBL
DrugBank
ZINCZINC000000403178
PDB chain3p0i Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3p0i The Double-Length Tyrosyl-tRNA Synthetase from the Eukaryote Leishmania major Forms an Intrinsically Asymmetric Pseudo-Dimer.
Resolution3.13 Å
Binding residue
(original residue number in PDB)		Y36 G38 W70 F75 Y163 Q167 D170 L181 Q185
Binding residue
(residue number reindexed from 1)		Y38 G40 W72 F77 Y165 Q169 D172 L183 Q187
Annotation score2
Enzymatic activity
Enzyme Commision number 6.1.1.1: tyrosine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004831 tyrosine-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006437 tyrosyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm
GO:0097014 ciliary plasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3p0i, PDBe:3p0i, PDBj:3p0i
PDBsum3p0i
PubMed21420975
UniProtQ4QFJ7

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