6ORR
Co-crystal structure of human NicotinamideN-Methyltransferase (NNMT) in complex with High-Affinity Alkynyl Bisubstrate Inhibitor NS1
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 | NNMT protein | polymer | 283 | 31466.0 | 4 | UniProt (Q6FH49) Pfam (PF01234) UniProt (by SIFTS) (P40261) In PDB | Homo sapiens (Human) | Nicotinamide N-methyltransferase,isoform CRA_a |
2 | A, B, C, D | 9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-D-glycero-alpha-L-talo-decofuranuronosyl}-9H-purin-6-amine | non-polymer | 509.5 | 4 | Chemie (N37) | |||
3 | A, C | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
4 | water | water | 18.0 | 179 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 264 (UniProt: Q6FH49)
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 | 9 |
Total formula weight | 2498.5 | |
All* | Total formula weight | 128362.7 |