Structure of PDB 2k3m Chain A Binding Site BS02

Receptor Information
>2k3m Chain A (length=127) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSDFDTERVSRAVAAALVGPGGVALVVKVCAGLPGVIHTPARRGFFRCNP
ERIQIGDWRYEVAHDGRLLAAHMVNGIVIAEDALIAEAVGPHLARALGQI
VCRYGATVIPNINAAIEVLGTGTDYRF
Ligand information
Ligand IDMTN
InChIInChI=1S/C10H19NO3S2/c1-9(2)6-8(7-15-16(5,13)14)10(3,4)11(9)12/h6,12H,7H2,1-5H3
InChIKeyMXZPGYFBZHBAQM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CC1(C)C=C(CS[S](C)(=O)=O)C(C)(C)N1[O]
OpenEye OEToolkits 1.7.2CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C
ACDLabs 12.01ON1C(C=C(CSS(=O)(=O)C)C1(C)C)(C)C
FormulaC10 H18 N O3 S2
NameS-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate;
MTSL
ChEMBL
DrugBankDB08217
ZINCZINC000002569540
PDB chain2k3m Chain A Residue 130 [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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PDB2k3m Backbone structure of a small helical integral membrane protein: A unique structural characterization.
ResolutionN/A
Binding residue
(original residue number in PDB)		Q99 C102 R103
Binding residue
(residue number reindexed from 1)		Q99 C102 R103
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:2k3m, PDBe:2k3m, PDBj:2k3m
PDBsum2k3m
PubMed19177358
UniProtO06796

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