Structure of PDB 3tqw Chain A Binding Site BS01

Receptor Information
>3tqw Chain A (length=235) Species: 777 (Coxiella burnetii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVRVGTIAGPETQLMEVAKQVALNRYGLHVNIITFSDYNTPNEALADGSV
DANMFQHLPYLKAQIEMRGYKIVSIGKTFVYPMGLYSKKITALTQLKTGA
KIAVPSDPSNEARALLLLEKAQLIQLKTHINATPMDIASNPKKLKIVELD
AAQLSRSLGDVDLAAINTNYAIPAGLSPSRDALLTEGPNSPYANVVAVRE
DDKNDPRLKQLVSALHSPAVLSAAKKIFGDGAIPA
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 chain3tqw Chain A Residue 238 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3tqw Structural genomics for drug design against the pathogen Coxiella burnetii.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y38 F55 Q56 H57 Y60 N110 R113 N169 N196
Binding residue
(residue number reindexed from 1)		Y38 F55 Q56 H57 Y60 N110 R113 N167 N194
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links