Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T17448 | Target Info | |||
| Target Name | Histamine N-methyltransferase (HNMT) | ||||
| Synonyms | Histamine-N-methyltransferase; HNMT; HMT | ||||
| Target Type | Successful Target | ||||
| Gene Name | HNMT | ||||
| Biochemical Class | Methyltransferase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Tacrine | Ligand Info | |||
| Canonical SMILES | C1CCC2=NC3=CC=CC=C3C(=C2C1)N | ||||
| InChI | 1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | ||||
| InChIKey | YLJREFDVOIBQDA-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 1935 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2AOW Histamine Methyltransferase (Natural Variant I105) Complexed with the Acetylcholinesterase Inhibitor and Altzheimer's Disease Drug Tacrine | ||||||
| Method | X-ray diffraction | Resolution | 2.97 Å | Mutation | Yes | [1] |
| PDB Sequence |
MRSLFSDHGK
14 YVESFRRFLN24 HSTEHQCMQE34 FMDKKLPGII44 GRIGDTKSEI54 KILSIGGGAG 64 EIDLQILSKV74 QAQYPGVCIN84 NEVVEPSAEQ94 IAKYKELVAK104 ISNLENVKFA 114 WHKETSSEYQ124 SRMLEKKELQ134 KWDFIHMIQM144 LYYVKDIPAT154 LKFFHSLLGT 164 NAKMLIIVVS174 GSSGWDKLWK184 KYGSRFPQDD194 LCQYITSDDL204 TQMLDNLGLK 214 YECYDLLSTM224 DISDCFIDGN234 ENGDLLWDFL244 TETCNFNATA254 PPDLRAELGK 264 DLQEPEFSAK274 KEGKVLFNNT284 LSFIVIEA
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| PDB ID: 2AOX Histamine Methyltransferase (Primary Variant T105) Complexed with the Acetylcholinesterase Inhibitor and Altzheimer's Disease Drug Tacrine | ||||||
| Method | X-ray diffraction | Resolution | 3.12 Å | Mutation | No | [1] |
| PDB Sequence |
MRSLFSDHGK
14 YVESFRRFLN24 HSTEHQCMQE34 FMDKKLPGII44 GRIGDTKSEI54 KILSIGGGAG 64 EIDLQILSKV74 QAQYPGVCIN84 NEVVEPSAEQ94 IAKYKELVAK104 TSNLENVKFA 114 WHKETSSEYQ124 SRMLEKKELQ134 KWDFIHMIQM144 LYYVKDIPAT154 LKFFHSLLGT 164 NAKMLIIVVS174 GSSGWDKLWK184 KYGSRFPQDD194 LCQYITSDDL204 TQMLDNLGLK 214 YECYDLLSTM224 DISDCFIDGN234 ENGDLLWDFL244 TETCNFNATA254 PPDLRAELGK 264 DLQEPEFSAK274 KEGKVLFNNT284 LSFIVIEA
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis for inhibition of histamine N-methyltransferase by diverse drugs. J Mol Biol. 2005 Oct 21;353(2):334-344. | ||||
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