4CX1
Structure of bovine endothelial nitric oxide synthase L111A mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4- METHYLPYRIDIN-2-YL)PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
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) | NITRIC OXIDE SYNTHASE, ENDOTHELIAL | polymer | 443 | 49684.9 | 2 | UniProt (P29473) Pfam (PF02898) | BOS TAURUS (CATTLE) | CONSTITUTIVE NOS, CNOS, EC-NOS, ENDOTHELIAL NOS, ENOS, NOS TYPE III, NOSIII, ENDOTHELIAL NITRIC OXIDE SYNTHASE |
| 2 | C, H (A, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 3 | D, I (A, B) | 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE | non-polymer | 239.2 | 2 | Chemie (H2B) | |||
| 4 | E, J (A, B) | 4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine | non-polymer | 368.5 | 2 | Chemie (HW9) | |||
| 5 | F, G, K, L (A, B) | ACETATE ION | non-polymer | 59.0 | 4 | Chemie (ACT) | |||
| 6 | M (B) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 7 | N, O (A, B) | water | water | 18.0 | 362 | Chemie (HOH) |
Sequence modifications
A, B: 40 - 482 (UniProt: P29473)
| PDB | External Database | Details |
|---|---|---|
| Arg 100 | Cys 100 | conflict |
| Ala 111 | Leu 111 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 99369.9 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 2750.1 | |
| All* | Total formula weight | 102119.9 |
