7ET7
Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with tricyclic small molecule inhibitor JBSNF-000028
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 | 281 | 31236.7 | 4 | UniProt (P40261) Pfam (PF01234) In PDB | Homo sapiens (Human) | |
2 | A, B, C, D | S-ADENOSYL-L-HOMOCYSTEINE | non-polymer | 384.4 | 4 | Chemie (SAH) | |||
3 | A, B, C, D | 10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine | non-polymer | 187.2 | 4 | Chemie (JCU) | |||
4 | water | water | 18.0 | 31 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 261 (UniProt: P40261)
PDB | External Database | Details |
---|---|---|
Met -19 | - | expression tag |
Gly -18 | - | expression tag |
Ser -17 | - | expression tag |
Ser -16 | - | expression tag |
His -15 | - | expression tag |
His -14 | - | expression tag |
His -13 | - | expression tag |
His -12 | - | expression tag |
His -11 | - | expression tag |
His -10 | - | expression tag |
Ser -9 | - | expression tag |
Ser -8 | - | expression tag |
Gly -7 | - | expression tag |
Leu -6 | - | expression tag |
Val -5 | - | expression tag |
Pro -4 | - | expression tag |
Arg -3 | - | expression tag |
Gly -2 | - | expression tag |
Ser -1 | - | expression tag |
His 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 | 124946.9 | |
Non-Polymers* | Number of molecules | 8 |
Total formula weight | 2286.6 | |
All* | Total formula weight | 127233.5 |