6WS1
Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-((((2R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(3-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)propyl)amino)butanoic acid and AdoHcy (SAH)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Phenylethanolamine N-methyltransferase | polymer | 294 | 32327.6 | 2 | UniProt (P11086) Pfam (PF01234) | Homo sapiens (Human) | PNMTase,Noradrenaline N-methyltransferase |
| 2 | C (A) | S-ADENOSYL-L-HOMOCYSTEINE | non-polymer | 384.4 | 1 | Chemie (SAH) PubChem (16760024) PubChem (25210495) PubChem (177678424) PubChem (21125603) PubChem (25203782) PubChem (52224400) PubChem (44361184) PubChem (46936206) PubChem (50989525) PubChem (51380914) PubChem (6419189) PubChem (52224398) PubChem (57544532) PubChem (164157219) PubChem (59046843) PubChem (59170628) PubChem (59576228) PubChem (66805708) PubChem (70689219) PubChem (70702054) PubChem (70832431) PubChem (118374891) PubChem (118560068) PubChem (193) PubChem (13792) PubChem (189149) PubChem (439155) PubChem (5284331) PubChem (126969526) PubChem (71170554) PubChem (129105892) PubChem (13231890) PubChem (143518505) PubChem (154578335) PubChem (163054214) PubChem (163335525) | |||
| 3 | D, E, I (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 4 | F (A) | CADMIUM ION | non-polymer | 112.4 | 1 | Chemie (CD) PubChem (31193) | |||
| 5 | G (A) | POTASSIUM ION | non-polymer | 39.1 | 1 | Chemie (K) PubChem (813) | |||
| 6 | H (B) | 5'-([(3S)-3-amino-3-carboxypropyl]{3-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine | non-polymer | 609.5 | 1 | Chemie (U87) PubChem (154572002) | |||
| 7 | J, K (A, B) | water | water | 18.0 | 11 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 282 (UniProt: P11086)
| PDB | External Database | Details |
|---|---|---|
| His -11 | - | expression tag |
| His -10 | - | expression tag |
| His -9 | - | expression tag |
| His -8 | - | expression tag |
| His -7 | - | expression tag |
| His -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 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 64655.2 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1331.6 | |
| All* | Total formula weight | 65986.8 |
