Structure of PDB 4jwt Chain A Binding Site BS01

Receptor Information
>4jwt Chain A (length=245) Species: 326298 (Sulfurimonas denitrificans DSM 1251) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVDLGTENLYFQSMKIAIMGAMPEEISPILEKIGSYKSTSYAGNKYYEAT
YQGVELVIAYSKIGKVFSALSAATMIEHFGATKLLFSGVAGAISTNLKVG
DLIVATKLSQHDLDITAFGHPYGYVPEGSVFVEADKDMIELSKKVALEMG
KSVQEGIIATGDQFVANEERKNWIGTTFGADALEMEGGSVGVVCNALNIP
FFILRSISDAADMDASFSFDEFLESSAKESAEFIMKMVDELVALP
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain4jwt Chain A Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jwt Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Sulfurimonas denitrificans DSM 1251
Resolution2.05 Å
Binding residue
(original residue number in PDB)		A77 G78 F151 V152 L170 M172 S195 D196
Binding residue
(residue number reindexed from 1)		A90 G91 F164 V165 L183 M185 S208 D209
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) S14 A36 T37
Catalytic site (residue number reindexed from 1) S27 A49 T50
Enzyme Commision number 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:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0009086 methionine biosynthetic process
GO:0009116 nucleoside metabolic process
GO:0009164 nucleoside catabolic process
GO:0019284 L-methionine salvage from S-adenosylmethionine
GO:0019509 L-methionine salvage from methylthioadenosine
Cellular Component
GO:0005829 cytosol

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Cellular Component
External links
PDB RCSB:4jwt, PDBe:4jwt, PDBj:4jwt
PDBsum4jwt
PubMed
UniProtQ30QR2

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