Structure of PDB 5bmh Chain A Binding Site BS01

Receptor Information
>5bmh Chain A (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]
MQYKLILNGKTLKGETTTEAVDAATAEKVFKQYANDNGVDGEWCYDDATK
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 chain5bmh Chain A Residue 101 [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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PDB5bmh Rotameric preferences of a protein spin label at edge-strand beta-sheet sites.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		C44 D46 T53
Binding residue
(residue number reindexed from 1)		C44 D46 T53
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:5bmh, PDBe:5bmh, PDBj:5bmh
PDBsum5bmh
PubMed26948069
UniProtP19909|SPG2_STRSG Immunoglobulin G-binding protein G (Gene Name=spg)

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