Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T70521 | Target Info | |||
| Target Name | Bacterial MTA/SAH nucleosidase (Bact mtnN) | ||||
| Synonyms | mtnN; S-adenosylhomocysteine nucleosidase; P46; 5'-methylthioadenosine nucleosidase; 5'-Methylthioadenosine/S-adenosylhomocysteine (MTA/AdoHcy) nucleosidase | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | Bact mtnN | ||||
| Biochemical Class | Glycosylase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Adenine | Ligand Info | |||
| Canonical SMILES | C1=NC2=NC=NC(=C2N1)N | ||||
| InChI | 1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) | ||||
| InChIKey | GFFGJBXGBJISGV-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 190 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1JYS Crystal Structure of E. coli MTA/AdoHcy Nucleosidase | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
MKIGIIGAME
10 EEVTLLRDKI20 ENRQTISLGG30 CEIYTGQLNG40 TEVALLKSGI50 GKVAAALGAT 60 LLLEHCKPDV70 IINTGSAGGL80 APTLKVGDIV90 VSDEARYHDA100 DVTAFGYEYG 110 QLPGCPAGFK120 ADDKLIAAAE130 ACIAELNLNA140 VRGLIVSGDA150 FINGSVGLAK 160 IRHNFPQAIA170 VEMEATAIAH180 VCHNFNVPFV190 VVRAISDVAD200 QSFDEFLAVA 214 AKQSSLMVES224 LVQKLA
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| PDB ID: 1Z5N Crystal structure of MTA/AdoHcy nucleosidase Glu12Gln mutant complexed with 5-methylthioribose and adenine | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [2] |
| PDB Sequence |
FSMKIGIIGA
8 MEEQVTLLRD18 KIENRQTISL28 GGCEIYTGQL38 NGTEVALLKS48 GIGKVAAALG 58 ATLLLEHCKP68 DVIINTGSAG78 GLAPTLKVGD88 IVVSDEARYH98 DADVTAFGYE 108 YGQLPGCPAG118 FKADDKLIAA128 AEACIAELNL138 NAVRGLIVSG148 DAFINGSVGL 158 AKIRHNFPQA168 IAVEMEATAI178 AHVCHNFNVP188 FVVVRAISDV198 ADQQSHLSFD 208 EFLAVAAKQS218 SLMVESLVQK228 LAHG
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of E. coli 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase reveals similarity to the purine nucleoside phosphorylases. Structure. 2001 Oct;9(10):941-53. | ||||
| REF 2 | Structural snapshots of MTA/AdoHcy nucleosidase along the reaction coordinate provide insights into enzyme and nucleoside flexibility during catalysis. J Mol Biol. 2005 Sep 23;352(3):559-74. | ||||
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