Structure of PDB 4mvw Chain A Binding Site BS01

Receptor Information
>4mvw Chain A (length=523) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVEKVFFVTSPIYYVNAAPHIGHVYSTLITDVIGRYHRVKGERVFALTGT
DEHGQKVAEAAKQKQVSPYDFTTAVAGEFKKCFEQMDYSIDYFIRTTNEQ
HKAVVKELWTKLEQKGDIYLGRYEGWYSISDESFLTPQNITDGVDKDGNP
CKVSLESGHVVTWVSEENYMFRLSAFRERLLEWYHANPGCIVPEFRRREV
IRAVEKGLPDLSVSRARATLHNWAIPVPGNPDHCVYVWLDALTNYLTGSR
LRVDESGKEVSLVDDFNELERFPADVHVIGKDILKFHAIYWPAFLLSAGL
PLPKKIVAHGWWTKDRKVFDPVEKAEEFGYDALKYFLLRESGFSDDGDYS
DKNMIARLNGELADTLGNLVMRCTSAKINVNGEWPSPAAYTEEDESLIQL
IKDLPGTADHYYLIPDIQKAIIAVFDVLRAINAYVTDMAPWKLVKTDPER
LRTVLYITLEGVRVTTLLLSPILPRKSVVIFDMLGVPEVHRKGIENFEFG
AVPPGTRLGPAVEGEVLFSKRST
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 chain4mvw Chain A Residue 808 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mvw Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Resolution2.901 Å
Binding residue
(original residue number in PDB)		P247 I248 Y250 D287 W474 L478 K550
Binding residue
(residue number reindexed from 1)		P11 I12 Y14 D51 W238 L242 K314
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H256 H259 S364 D367 S390 S393
Catalytic site (residue number reindexed from 1) H20 H23 S128 D131 S154 S157
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:4mvw, PDBe:4mvw, PDBj:4mvw
PDBsum4mvw
PubMed24743796
UniProtQ38C91

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