Structure of PDB 2x1l Chain C Binding Site BS01

Receptor Information
>2x1l Chain C (length=476) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEPFYITTAIAYPNGVPHIGHAYEYIATDAIARFKRLDGYDVRYLTGTDV
HGQKMAETAAKEGIPAAELARRNSDVFQRLQEKLNISFDRFIRTSDADHY
EASKAIWKRMADAGDIYLDAYTEEQTYFFRLSAYTDRLLALYEEHPEFIG
PDARRNEIVSFVSGGLKDLSISRTTFDWGVPVPDHPDHVMYVWVDALTNY
LTGVGFPDTESESFRRYWPADLHMIGKDIIRFHTVYWPAFLMSAGLPLPK
RIFAHGWLLNRGEKMSKSIGNVVDPVNLVDTFGLDQVRYFLLREVPFGQD
GSYNEDAIIGRVNADLANELGNLAQRSLSMVAKNLGAAVPDPGEFTDEDT
ALLAAADALLERVREHFDVPAMHLALEAIWSVLGAANRYFSAQEPWVLRK
SDAAEDQQRFRTVLYTTLEVVRIASLLLQPVMPESTAKLLDLLGQPTDER
DFSAIANRIKPGTSLPAPSGIFPRYQ
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 chain2x1l Chain C Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2x1l Flexibility and Communication within the Structure of the Mycobacterium Smegmatis Methionyl-tRNA Synthetase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		A10 I11 Y13 D50 W230 A233 Y237 H270
Binding residue
(residue number reindexed from 1)		A9 I10 Y12 D49 W193 A196 Y200 H233
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) I11 H19 H22 D50 W230 I266 K301 K304
Catalytic site (residue number reindexed from 1) I10 H18 H21 D49 W193 I229 K264 K267
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:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006431 methionyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2x1l, PDBe:2x1l, PDBj:2x1l
PDBsum2x1l
PubMed20796028
UniProtA0R3E2

[Back to BioLiP]