Structure of PDB 3rfb Chain B Binding Site BS01

Receptor Information
>3rfb Chain B (length=163) Species: 171101 (Streptococcus pneumoniae R6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLKSEKQSRYQMLNEELSFLLEGETNVLANLSNASALIKSRFPNTVFAGF
YLFDGKELVLGPFQGGVSCIRIALGKGVCGEAAHFQETVIVGDVTTYLNY
ISCDSLAKSEIVVPMMKNGQLLGVLDLDSSEIEDYDAMDRDYLEQFVAIL
LEKTTWDFTMFEE
Ligand information
Ligand IDSME
InChIInChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1
InChIKeyQEFRNWWLZKMPFJ-ZXPFJRLXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[S@@](=O)CC[C@@H](C(=O)O)N
CACTVS 3.341C[S@@](=O)CC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CS(=O)CCC(C(=O)O)N
CACTVS 3.341C[S](=O)CC[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCS(=O)C
FormulaC5 H11 N O3 S
NameMETHIONINE SULFOXIDE
ChEMBL
DrugBankDB02235
ZINCZINC000001529567
PDB chain3rfb Chain B Residue 6888 [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]
PDB3rfb Structure of fRMsr
Resolution2.3 Å
Binding residue
(original residue number in PDB)		F47 Y51 S68 I72 G77 V78 C79 Y100 I101 E110
Binding residue
(residue number reindexed from 1)		F47 Y51 S68 I72 G77 V78 C79 Y100 I101 E110
Annotation score5
Enzymatic activity
Enzyme Commision number 1.8.4.14: L-methionine (R)-S-oxide reductase.
Gene Ontology
Molecular Function
GO:0033745 L-methionine-(R)-S-oxide reductase activity
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3rfb, PDBe:3rfb, PDBj:3rfb
PDBsum3rfb
PubMed
UniProtQ8DQA6

[Back to BioLiP]