7NBM
Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the bisubstrate-like inhibitor (33)
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 | Nicotinamide N-methyltransferase | polymer | 283 | 31466.0 | 4 | UniProt (P40261) Pfam (PF01234) In PDB | Homo sapiens (Human) | |
2 | A, B, C, D | (E)-3-((5,6-dihydro-2H,4H-thiazolo[5,4,3-ij]quinolin-2-ylidene)amino)-2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methylpropan-1-one | non-polymer | 487.6 | 4 | Chemie (U7K) | |||
3 | water | water | 18.0 | 265 | 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 | 4 |
Total formula weight | 1950.5 | |
All* | Total formula weight | 127814.6 |