Structure of PDB 3ko6 Chain B Binding Site BS01

Receptor Information
>3ko6 Chain B (length=176) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STGFHHADHVNYSSNLNKEEILEQLLLSYEGLSDGQVNWVCNLSNASSLI
WHAYKSLAVDINWAGFYVTQASEENTLILGPFQGKVACQMIQFGKGVCGT
AASTKETQIVPDVNKYPGHIACDGETKSEIVVPIISNDGKTLGVIDIDCL
DYEGFDHVDKEFLEKLAKLINKSCVF
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 chain3ko6 Chain B Residue 181 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ko6 Crystal structure of yeast free methionine-R-sulfoxide reductase Ykg9 in complex with the substrate
Resolution2.55 Å
Binding residue
(original residue number in PDB)		Y70 I94 G99 V100 C101 H122 I123 C125 E132 D149 D151
Binding residue
(residue number reindexed from 1)		Y67 I91 G96 V97 C98 H119 I120 C122 E129 D146 D148
Annotation score5
Enzymatic activity
Enzyme Commision number 1.8.4.14: L-methionine (R)-S-oxide reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0033745 L-methionine-(R)-S-oxide reductase activity
Biological Process
GO:0034599 cellular response to oxidative stress
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ko6, PDBe:3ko6, PDBj:3ko6
PDBsum3ko6
PubMed
UniProtP36088|FRMSR_YEAST Free methionine-R-sulfoxide reductase (Gene Name=YKL069W)

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