Structure of PDB 4ojt Chain A Binding Site BS01

Receptor Information
>4ojt Chain A (length=231) Species: 85963 (Helicobacter pylori J99) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGQKIGILGAMREEITPILELFGVDFEEIPLGGNVFHKGVYHNKEIIVAY
SKIGKVHSTLTTTSMILAFGVQKVLFSGVAGSLVKDLKINDLLVATQLVQ
HDVDLSAFDHPLGFIPESAIFIETSGSLNALAKKIANEQHIALKEGVIAS
GDQFVHSKERKEFLVSEFKASAVEMEGASVAFVCQKFGVPCCVLRSISDN
ADEKAGMSFDEFLEKSAHTSAKFLKSMVDEL
Ligand information
Ligand ID2WP
InChIInChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9-/m0/s1
InChIKeyIQFWYNFDWRYSRA-LYNCRYNASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)[C@@H](C(=O)O)N
CACTVS 3.385N[CH](CCSC[CH]1O[CH](O)[CH](O)[CH]1O)C(O)=O
CACTVS 3.385N[C@@H](CCSC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O)C(O)=O
OpenEye OEToolkits 1.7.6C(CSCC1C(C(C(O1)O)O)O)C(C(=O)O)N
ACDLabs 12.01O=C(O)C(N)CCSCC1OC(O)C(O)C1O
FormulaC9 H17 N O6 S
NameS-ribosylhomocysteine;
(2S)-2-amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid
ChEMBL
DrugBank
ZINCZINC000013544480
PDB chain4ojt Chain A Residue 301 [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]
PDB4ojt Crystal structures of the Helicobacter pylori MTAN enzyme reveal specific interactions between S-adenosylhomocysteine and the 5'-alkylthio binding subsite.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		E13 I52 F153 M174 E175 R194 F208
Binding residue
(residue number reindexed from 1)		E14 I53 F154 M175 E176 R195 F209
Annotation score5
Enzymatic activity
Enzyme Commision number 3.2.2.30: aminodeoxyfutalosine nucleosidase.
3.2.2.9: adenosylhomocysteine nucleosidase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008782 adenosylhomocysteine nucleosidase activity
GO:0008930 methylthioadenosine nucleosidase activity
GO:0016787 hydrolase activity
GO:0102246 6-amino-6-deoxyfutalosine hydrolase activity
Biological Process
GO:0009086 methionine biosynthetic process
GO:0009116 nucleoside metabolic process
GO:0009164 nucleoside catabolic process
GO:0009234 menaquinone biosynthetic process
GO:0019284 L-methionine salvage from S-adenosylmethionine
GO:0019509 L-methionine salvage from methylthioadenosine
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4ojt, PDBe:4ojt, PDBj:4ojt
PDBsum4ojt
PubMed23148563
UniProtQ9ZMY2|MQMTN_HELPJ Aminodeoxyfutalosine nucleosidase (Gene Name=mtnN)

[Back to BioLiP]