Structure of PDB 4eg8 Chain B Binding Site BS01

Receptor Information
>4eg8 Chain B (length=533) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPGSMKVEKVFFVTSPIYYVNAAPHIGHVYSTLITDVIGRYHRVKGERVF
ALTGTDEHGQKVAEAAKQKQVSPYDFTTAVAGEFKKCFEQMDYSIDYFIR
TTNEQHKAVVKELWTKLEQKGDIYLGRYEGWYSISDESFLTPQNITDGVD
NPCKVSLESGHVVTWVSEENYMFRLSAFRERLLEWYHANPGCIVPEFRRR
EVIRAVEKGLPDLSVSRARATLHNWAIPVPGNPDHCVYVWLDALTNYLTG
SRLRVDESGKEVSLVDDFNELERFPADVHVIGKDILKFHAIYWPAFLLSA
GLPLPKKIVAHGWWTKDRKKISKSLGNVFDPVEKAEEFGYDALKYFLLRE
SGFSDDGDYSDKNMIARLNGELADTLGNLVMRCTSAKINVNGEWPSPAAY
TEEDESLIQLIKDLPGTADHYYLIPDIQKAIIAVFDVLRAINAYVTDMAP
WKLVKTDPERLRTVLYITLEGVRVTTLLLSPILPRKSVVIFDMLGVPEVH
RKGIENFEFGAVPPGTRLGPAVEGEVLFSKRST
Ligand information
Ligand ID0P6
InChIInChI=1S/C9H8N2O/c10-8-5-4-6-2-1-3-7(12)9(6)11-8/h1-5,12H,(H2,10,11)
InChIKeyUFVLIVCXTIGACT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ccc2cccc(O)c2n1
OpenEye OEToolkits 1.7.6c1cc2ccc(nc2c(c1)O)N
ACDLabs 12.01Oc1cccc2ccc(nc12)N
FormulaC9 H8 N2 O
Name2-aminoquinolin-8-ol
ChEMBLCHEMBL119647
DrugBank
ZINCZINC000004521140
PDB chain4eg8 Chain B Residue 812 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4eg8 Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Resolution2.596 Å
Binding residue
(original residue number in PDB)		Y250 D287 H289 G290 Y472 V473 D476
Binding residue
(residue number reindexed from 1)		Y19 D56 H58 G59 Y238 V239 D242
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H256 H259 S364 D367 S390 S393 K554 K557
Catalytic site (residue number reindexed from 1) H25 H28 S133 D136 S156 S159 K320 K323
Enzyme Commision number 6.1.1.10: methionine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004825 methionine-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006418 tRNA aminoacylation for protein translation
GO:0006431 methionyl-tRNA aminoacylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4eg8, PDBe:4eg8, PDBj:4eg8
PDBsum4eg8
PubMed22902861
UniProtQ38C91

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