7BLE
Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (3)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Nicotinamide N-methyltransferase | polymer | 283 | 31466.0 | 4 | UniProt (P40261) Pfam (PF01234) | Homo sapiens (Human) | |
| 2 | E, G, I, K (A, B, C, D) | S-ADENOSYL-L-HOMOCYSTEINE | non-polymer | 384.4 | 4 | Chemie (SAH) PubChem (16760024) PubChem (193) PubChem (13792) PubChem (177678424) PubChem (189149) PubChem (439155) PubChem (25210495) PubChem (21125603) PubChem (44361184) PubChem (25203782) PubChem (46936206) PubChem (50989525) PubChem (51380914) PubChem (52224398) PubChem (57544532) PubChem (52224400) PubChem (59046843) PubChem (59170628) PubChem (59576228) PubChem (66805708) PubChem (5284331) PubChem (70689219) PubChem (70702054) PubChem (70832431) PubChem (71170554) PubChem (13231890) PubChem (6419189) PubChem (118374891) PubChem (118560068) PubChem (126969526) PubChem (129105892) PubChem (164157219) PubChem (143518505) PubChem (154578335) PubChem (163054214) PubChem (163335525) | |||
| 3 | F, H, J, L (A, B, C, D) | 3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine | non-polymer | 201.3 | 4 | Chemie (U1W) PubChem (155818896) | |||
| 4 | M, N, O, P (A, B, C, D) | water | water | 18.0 | 274 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 264 (UniProt: P40261)
| PDB | External Database | Details |
|---|---|---|
| Met -18 | - | initiating methionine |
| Gly -17 | - | expression tag |
| Ser -16 | - | expression tag |
| Ser -15 | - | expression tag |
| His -14 | - | expression tag |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| His -10 | - | expression tag |
| His -9 | - | expression tag |
| Ser -8 | - | expression tag |
| Ser -7 | - | expression tag |
| Gly -6 | - | expression tag |
| Leu -5 | - | expression tag |
| Val -4 | - | expression tag |
| Pro -3 | - | expression tag |
| Arg -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
| Ala 100 | Lys 100 | engineered mutation |
| Ala 101 | Glu 101 | engineered mutation |
| Ala 103 | Glu 103 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 125864.1 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 2342.7 | |
| All* | Total formula weight | 128206.8 |
