4M5I
The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase | polymer | 162 | 18380.0 | 1 | UniProt (P26281) Pfam (PF01288) In PDB | Escherichia coli | 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, PPPK, 7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase, HPPK |
| 2 | A | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 3 | A | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER | non-polymer | 505.2 | 1 | Chemie (APC) | |||
| 4 | A | 2-amino-8-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one | non-polymer | 315.4 | 1 | Chemie (YH6) | |||
| 5 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | water | water | 18.0 | 188 | Chemie (HOH) |
Sequence modifications
A: 0 - 158 (UniProt: P26281)
| PDB | External Database | Details |
|---|---|---|
| Gly -3 | - | expression tag |
| Ser -2 | - | expression tag |
| His -1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 18380.0 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 976.2 | |
| All* | Total formula weight | 19356.3 |
