3SAI
Bacuills anthracis Dihydrofolate Reductase bound to propargyl-linked TMP analog, UCP1015
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) | Dihydrofolate reductase | polymer | 165 | 19607.3 | 2 | UniProt (Q81R22) Pfam (PF00186) | Bacillus anthracis (anthrax anthrax bacterium) | |
| 2 | C, I (A, B) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 2 | Chemie (NAP) PubChem (5885) PubChem (46936685) PubChem (4412) PubChem (90473931) PubChem (91972139) PubChem (145946263) PubChem (153311489) PubChem (174001641) PubChem (71717786) PubChem (165382010) | |||
| 3 | D, J (A, B) | 6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine | non-polymer | 359.4 | 2 | Chemie (9DR) PubChem (57149550) | |||
| 4 | E, F, H, K (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 4 | Chemie (PEG) PubChem (8117) | |||
| 5 | G (A) | NICKEL (II) ION | non-polymer | 58.7 | 1 | Chemie (NI) PubChem (934) | |||
| 6 | L, M (A, B) | water | water | 18.0 | 229 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 162 (UniProt: Q81R22)
| PDB | External Database | Details |
|---|---|---|
| His -2 | - | expression tag |
| His -1 | - | expression tag |
| His 0 | - | expression tag |
| Arg 2 | Ile 2 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 39214.7 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 2688.8 | |
| All* | Total formula weight | 41903.5 |
