4D3U
Structure of Bacillus subtilis Nitric Oxide Synthase H128S in complex with N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]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 | 366 | 42018.3 | 1 | UniProt (O34453) Pfam (PF02898) | BACILLUS SUBTILIS SUBSP. SUBTILIS STR. 168 | NOSOXY-LIKE PROTEIN |
| 2 | B (A) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 3 | C (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 4 | D (A) | N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide | non-polymer | 462.6 | 1 | Chemie (RFQ) | |||
| 5 | E, H (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 6 | F, G, I (A) | N-PROPANOL | non-polymer | 60.1 | 3 | Chemie (POL) | |||
| 7 | J (A) | water | water | 18.0 | 169 | Chemie (HOH) |
Sequence modifications
A: 1 - 363 (UniProt: O34453)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| His 0 | - | expression tag |
| Ala 25 | Glu 25 | engineered mutation |
| Ala 26 | Glu 26 | engineered mutation |
| Ser 128 | His 128 | engineered mutation |
| Ala 316 | Glu 316 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 42018.3 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1479.0 | |
| All* | Total formula weight | 43497.3 |
