Structure of PDB 4ega Chain A Binding Site BS01

Receptor Information
>4ega Chain A (length=524) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VEKVFFVTSPIYYVNAAPHIGHVYSTLITDVIGRYHRVKGERVFALTGTD
EHGQKVAEAAKQKQVSPYDFTTAVAGEFKKCFEQMDYSIDYFIRTTNEQH
KAVVKELWTKLEQKGDIYLGRYEGWYSISDESFLTPQNITDGVDGNPCKV
SLESGHVVTWVSEENYMFRLSAFRERLLEWYHANPGCIVPEFRRREVIRA
VEKGLPDLSVSRARATLHNWAIPVPGNPDHCVYVWLDALTNYLTGSRLRV
DESGKEVSLVDDFNELERFPADVHVIGKDILKFHAIYWPAFLLSAGLPLP
KKIVAHGWWTKDRKKGNVFDPVEKAEEFGYDALKYFLLRESGFSDDGDYS
DKNMIARLNGELADTLGNLVMRCTSAKINVNGEWPSPAAYTEEDESLIQL
IKDLPGTADHYYLIPDIQKAIIAVFDVLRAINAYVTDMAPWKLVKTDPER
LRTVLYITLEGVRVTTLLLSPILPRKSVVIFDMLGVPEVHRKGIENFEFG
AVPPGTRLGPAVEGEVLFSKRSTE
Ligand information
Ligand IDMET
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyFFEARJCKVFRZRR-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CSCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)N
CACTVS 3.341CSCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCSC
FormulaC5 H11 N O2 S
NameMETHIONINE
ChEMBLCHEMBL42336
DrugBankDB00134
ZINCZINC000001532529
PDB chain4ega Chain A Residue 814 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ega Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Resolution2.698 Å
Binding residue
(original residue number in PDB)		P247 I248 Y249 Y250 D287 W474 A477 Y481 H523 K550
Binding residue
(residue number reindexed from 1)		P10 I11 Y12 Y13 D50 W235 A238 Y242 H284 K311
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H256 H259 S364 D367 S390 S393 K554
Catalytic site (residue number reindexed from 1) H19 H22 S127 D130 S151 S154 K315
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:4ega, PDBe:4ega, PDBj:4ega
PDBsum4ega
PubMed22902861
UniProtQ38C91

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