Structure of PDB 3v3x Chain D Binding Site BS01

Receptor Information
>3v3x Chain D (length=56) Species: 1320 (Streptococcus sp. 'group G') [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQYKLILCGKTLKGETTTEAVDAATAECVFKQYANDNGVDGEWTYDDATK
TFTVTE
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 chain3v3x Chain D Residue 281 [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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PDB3v3x High-resolution structure of a protein spin-label in a solvent-exposed beta-sheet and comparison with DEER spectroscopy.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E27 C28
Binding residue
(residue number reindexed from 1)		E27 C28
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:3v3x, PDBe:3v3x, PDBj:3v3x
PDBsum3v3x
PubMed22809334
UniProtP19909|SPG2_STRSG Immunoglobulin G-binding protein G (Gene Name=spg)

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