Structure of PDB 4jos Chain B Binding Site BS01

Receptor Information
>4jos Chain B (length=230) Species: 484022 (Francisella philomiragia subsp. philomiragia ATCC 25017) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSMKKIAILGAMEIEIQPILQKLEKYETVEYANNKYYVANYNGIELVVAY
SKIGKVFSSLTATIMIEHFGVDALLFTGVAGGLQDLQVGDMIAATATVQH
DVDITAFGYPYGKIPISEVEIATSARILEQAKVIAKELNLNLHTGVIATG
DQFVHSAERKDFVVKEFDAKAIEMEGASVNLICNEMNIPSFILRSISDTA
DGDAPDNFDEFAKMAANRSADFVMKLVDRI
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 chain4jos Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jos Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335)
Resolution1.45 Å
Binding residue
(original residue number in PDB)		A78 G79 F151 V152 E171 M172 D196 A198
Binding residue
(residue number reindexed from 1)		A80 G81 F153 V154 E173 M174 D198 A200
Annotation score5
Enzymatic activity
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:4jos, PDBe:4jos, PDBj:4jos
PDBsum4jos
PubMed
UniProtB0TZL4

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