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 | N6-Acetyl-L-lysine | Ligand Info | |||
| Canonical SMILES | CC(=O)NCCCCC(C(=O)O)N | ||||
| InChI | 1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 | ||||
| InChIKey | DTERQYGMUDWYAZ-ZETCQYMHSA-N | ||||
| PubChem Compound ID | 92832 | ||||
| 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
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GLU26
2.726
ASN27
1.794
GLU28
3.668
MET29
3.452
PRO30
2.384
MET33
2.894
ARG34
1.966
PHE356
2.544
CYS396
3.458
ALA397
4.555
HIS398
2.895
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| 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
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| 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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