4UGR
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N-(3-(((2S,4S)-4-((3-((C-thiophen-2-ylcarbonimidoyl)amino)phenyl) methoxy)pyrrolidin-2-yl)methoxymethyl)phenyl)thiophene-2- carboximidamide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | NITRIC OXIDE SYNTHASE OXYGENASE | polymer | 363 | 41787.1 | 1 | UniProt (O34453) Pfam (PF02898) | BACILLUS SUBTILIS | NOSOXY-LIKE PROTEIN, NITRIC OXIDE SYNTHASE |
| 2 | B (A) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 3 | C (A) | 5,6,7,8-TETRAHYDROBIOPTERIN | non-polymer | 241.2 | 1 | Chemie (H4B) | |||
| 4 | D (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 5 | E (A) | N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide | non-polymer | 545.7 | 1 | Chemie (6E5) | |||
| 6 | F (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 7 | G (A) | water | water | 18.0 | 369 | Chemie (HOH) |
Sequence modifications
A: 1 - 363 (UniProt: O34453)
| PDB | External Database | Details |
|---|---|---|
| Ala 25 | Glu 25 | engineered mutation |
| Ala 26 | Glu 26 | engineered mutation |
| Ala 316 | Glu 316 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 41787.1 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1531.0 | |
| All* | Total formula weight | 43318.1 |
