9MDH
Crystal structure of Human Prostaglandin reductase 1 (PTGR1) in complex with NADP and Indomethacin (Orthorhombic P form)
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 (A, B, C, D) | Prostaglandin reductase 1 | polymer | 331 | 35968.7 | 4 | UniProt (Q14914) Pfam (PF16884) Pfam (PF00107) | Homo sapiens (human) | PRG-1,15-oxoprostaglandin 13-reductase,Dithiolethione-inducible gene 1 protein,D3T-inducible gene 1 protein,DIG-1,Leukotriene B4 12-hydroxydehydrogenase,NAD(P)H-dependent alkenal/one oxidoreductase |
| 2 | AA, BA, CA, DA, E... (C, A, D, B) | CHLORIDE ION | non-polymer | 35.5 | 20 | Chemie (CL) PubChem (312) | |||
| 3 | K, L, V (A, B) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 4 | M, N (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) PubChem (753) | |||
| 5 | EA, LA, O, W (C, D, A, B) | INDOMETHACIN | non-polymer | 357.8 | 4 | Chemie (IMN) PubChem (3715) | |||
| 6 | FA, MA, P, X (C, D, A, B) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 4 | Chemie (NAP) PubChem (5885) PubChem (46936685) PubChem (71717786) PubChem (4412) PubChem (90473931) PubChem (91972139) PubChem (145946263) PubChem (153311489) PubChem (174001641) PubChem (165382010) | |||
| 7 | Q, Y (A, B) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 2 | Chemie (PG4) PubChem (8200) | |||
| 8 | NA, OA, PA, QA (A, B, C, D) | water | water | 18.0 | 205 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 4 - 329 (UniProt: Q14914)
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| Pro 0 | - | expression tag |
| Gly 1 | - | expression tag |
| Ser 2 | - | expression tag |
| Met 3 | - | expression tag |
| Ser 27 | Ala 27 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 143874.9 | |
| Non-Polymers* | Number of molecules | 35 |
| Total formula weight | 5974.7 | |
| All* | Total formula weight | 149849.6 |
