5U3I
CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT compound 31
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C | Hemoglobin subunit alpha | polymer | 141 | 15150.4 | 2 | UniProt (P69905) Pfam (PF00042) In PDB | Homo sapiens (Human) | Alpha-globin,Hemoglobin alpha chain |
| 2 | B, D | Hemoglobin subunit beta | polymer | 146 | 15860.2 | 2 | UniProt (P68871) Pfam (PF00042) In PDB | Homo sapiens (Human) | Beta-globin,Hemoglobin beta chain |
| 3 | A, B, C, D | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
| 4 | A, B, C, D | CARBON MONOXIDE | non-polymer | 28.0 | 4 | Chemie (CMO) | |||
| 5 | A | 2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde | non-polymer | 352.4 | 1 | Chemie (7SJ) | |||
| 6 | water | water | 18.0 | 55 | Chemie (HOH) |
Sequence modifications
B, D: 1 - 146 (UniProt: P68871)
| PDB | External Database | Details |
|---|---|---|
| Val 6 | Glu 7 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 62021.1 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 2930.4 | |
| All* | Total formula weight | 64951.5 |
