Structure of PDB 2pun Chain A Binding Site BS03

Receptor Information
>2pun Chain A (length=380) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPLYETLNESSAVALAVKLGLTCQEIGDGNLNYVFHIYDRALIIKQAVPY
AKVVGESWPLTIDRARIESSALIRQGEHVPHLVPRVFYSDTEMAVTVMED
LSHLKIARKGLIEGENYPHLSQHIGEFLGKTLFYSSDYALEPKVKKQLVK
QFTNPELCDITERLVFTDPFFDHDTNDFEEELRPFVEKLWNNDSVKIEAA
KLKKSFLTSAETLIHGDLHTGSIFASEHETKVIDPEFAFYGPIGFDVGQF
IANLFLNALSRDGADREPLYEHVNQVWETFEETFSEAWQKDSLDVYANID
GYLTDTLSHIFEEAIGFAGCELIRRTIGLAHVADLDTIVPFDKRIGRKRL
ALETGTAFIEKRSEFKTITDVIELFKLLVK
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 chain2pun 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

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PDB2pun Structures of 5-methylthioribose kinase reveal substrate specificity and unusual mode of nucleotide binding
Resolution2.3 Å
Binding residue
(original residue number in PDB)		W74 I176 D233 F253 R340 A346
Binding residue
(residue number reindexed from 1)		W58 I160 D217 F237 R324 A330
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: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:2pun, PDBe:2pun, PDBj:2pun
PDBsum2pun
PubMed17522047
UniProtO31663|MTNK_BACSU Methylthioribose kinase (Gene Name=mtnK)

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