Structure of PDB 2pyw Chain A Binding Site BS02

Receptor Information
>2pyw Chain A (length=417) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FEEFTPLNEKSLVDYIKSTPALSSKIGADKSDDDLVIKEVGDGNLNFVFI
VVGSSGSLVIKQALPYIRCIGESWPMTKERAYFEATTLRKHGNLSPDHVP
EVYHFDRTMALIGMRYLEPPHIILRKGLIAGIEYPFLADHMSDYMAKTLF
FTSLLYHDTTEHRRAVTEFCGNVELCRLTEQVVFSDPYRVSTFNRWTSPY
LDDDAKAVREDSALKLEIAELKSMFCERAQALIHGDLHTGSVMVTQDSTQ
VIDPEFSFYGPMGFDIGAYLGNLILAFFAQDGHATQENDRKEYKQWILRT
IEQTWNLFNKRFIALWDQNKDGPGEAYLADIYNNTEVLKFVQENYMRNLL
HDSLGFGAAKMIRRIVGVAHVEDFESIEEDKRRAICERSALEFAKMLLKE
RRKFKSIGEVVSAIQQQ
Ligand information
Ligand IDSR1
InChIInChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1
InChIKeyOLVVOVIFTBSBBH-KAZBKCHUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CSCC1C(C(C(O1)O)O)O
OpenEye OEToolkits 1.5.0CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O
ACDLabs 10.04OC1C(OC(O)C1O)CSC
CACTVS 3.341CSC[CH]1O[CH](O)[CH](O)[CH]1O
CACTVS 3.341CSC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O
FormulaC6 H12 O4 S
Name5-S-methyl-5-thio-alpha-D-ribofuranose;
5-S-methyl-5-thio-alpha-D-ribose;
5-S-methyl-5-thio-D-ribose;
5-S-methyl-5-thio-ribose
ChEMBL
DrugBank
ZINC
PDB chain2pyw Chain A Residue 998 [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]
PDB2pyw Structure of A. thaliana 5-methylthioribose kinase in complex with ADP and MTR reveals a more occluded active site than its bacterial homolog
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N46 D238 F258 R365
Binding residue
(residue number reindexed from 1)		N44 D236 F256 R363
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.100: S-methyl-5-thioribose kinase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0042802 identical protein binding
GO:0046522 S-methyl-5-thioribose kinase activity
Biological Process
GO:0009086 methionine biosynthetic process
GO:0016310 phosphorylation
GO:0019509 L-methionine salvage from methylthioadenosine

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2pyw, PDBe:2pyw, PDBj:2pyw
PDBsum2pyw
PubMed17961230
UniProtQ9C6D2|MTK_ARATH Methylthioribose kinase (Gene Name=MTK)

[Back to BioLiP]