7SOK
Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with inhibitor II329
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | C, A, B, 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 | C, A, B, D | (2S)-2-amino-4-([3-(3-carbamoylphenyl)prop-2-yn-1-yl]{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)butanoic acid | non-polymer | 541.0 | 4 | Chemie (9XL) | |||
3 | C, A, B | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 8 | Chemie (PEG) | |||
4 | water | water | 18.0 | 327 | Chemie (HOH) |
Sequence modifications
C, A, B, D: 1 - 264 (UniProt: Q6FH49)
PDB | External Database | Details |
---|---|---|
Met -18 | - | expression tag |
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 | 12 |
Total formula weight | 3013.0 | |
All* | Total formula weight | 128877.1 |