Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T68698 | Target Info | |||
| Target Name | Adenosylhomocysteinase (AHCY) | ||||
| Synonyms | SAHH; SAH hydrolase; S-adenosyl-L-homocysteine hydrolase | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | AHCY | ||||
| Biochemical Class | Ether bond hydrolase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Adenosine | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N | ||||
| InChI | 1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | OIRDTQYFTABQOQ-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 60961 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4PFJ The structure of bi-acetylated SAHH | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [1] |
| PDB Sequence |
DKLPYKVADI
12 GLAAWGRKAL22 DIAENEMPGL32 MRMRERYSAS42 KPLKGARIAG52 CLHMTVETAV 62 LIETLVTLGA72 EVQWSSCNIF82 STQNHAAAAI92 AKAGIPVYAW102 KGETDEEYLW 112 CIEQTLYFKD122 GPLNMILDDG132 GDLTNLIHTK142 YPQLLPGIRG152 ISEETTTGVH 162 NLYKMMANGI172 LKVPAINVND182 SVTKSKFDNL192 YGCRESLIDG202 IKRATDVMIA 212 GKVAVVAGYG222 DVGKGCAQAL232 RGFGARVIIT242 EIDPINALQA252 AMEGYEVTTM 262 DEACQEGNIF272 VTTTGCIDII282 LGRHFEQMKD292 DAIVCNIGHF302 DVEIDVKWLN 312 ENAVEKVNIK322 PQVDRYRLKN332 GRRIILLAEG342 RLVNLGCAMG352 HPSFVMSNSF 362 TNQVMAQIEL372 WTHPDKYPVG382 VHFLPKKLDE392 AVACAHLGLN403 VKLTLTEKQA 414 QYLGMSCDGP424 FKPDHYRY
|
|||||
|
|
LEU54
2.577
HIS55
2.766
THR57
2.652
GLU59
2.775
THR60
2.318
CYS79
4.328
GLN85
3.556
ASP131
2.478
GLU156
2.575
THR157
2.116
THR158
3.898
ASN181
4.239
LYS186
1.922
ASP190
2.123
ASN191
4.721
|
|||||
| PDB ID: 4PGF The structure of mono-acetylated SAHH | ||||||
| Method | X-ray diffraction | Resolution | 2.59 Å | Mutation | Yes | [1] |
| PDB Sequence |
DKLPYKVADI
12 GLAAWGRKAL22 DIAENEMPGL32 MRMRERYSAS42 KPLKGARIAG52 CLHMTVETAV 62 LIETLVTLGA72 EVQWSSCNIF82 STQNHAAAAI92 AKAGIPVYAW102 KGETDEEYLW 112 CIEQTLYFKD122 GPLNMILDDG132 GDLTNLIHTK142 YPQLLPGIRG152 ISEETTTGVH 162 NLYKMMANGI172 LKVPAINVND182 SVTKSKFDNL192 YGCRESLIDG202 IKRATDVMIA 212 GKVAVVAGYG222 DVGKGCAQAL232 RGFGARVIIT242 EIDPINALQA252 AMEGYEVTTM 262 DEACQEGNIF272 VTTTGCIDII282 LGRHFEQMKD292 DAIVCNIGHF302 DVEIDVKWLN 312 ENAVEKVNIK322 PQVDRYRLKN332 GRRIILLAEG342 RLVNLGCAMG352 HPSFVMSNSF 362 TNQVMAQIEL372 WTHPDKYPVG382 VHFLPKKLDE392 AVACAHLGKL402 NVKLTLTEKQ 413 AQYLGMSCDG423 PFKPDHYRY
|
|||||
|
|
LEU54
2.557
HIS55
1.949
THR57
2.131
VAL58
4.750
GLU59
1.904
THR60
2.437
CYS79
4.524
GLN85
3.669
ASP131
2.656
GLU156
2.059
THR157
2.514
THR158
4.983
LYS186
2.242
ASP190
2.791
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Regulation of S-adenosylhomocysteine hydrolase by lysine acetylation. J Biol Chem. 2014 Nov 7;289(45):31361-72. | ||||
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