5IF4
Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design
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) | Induced myeloid leukemia cell differentiation protein Mcl-1 | polymer | 159 | 18036.4 | 2 | UniProt (Q07820) Pfam (PF00452) | Homo sapiens (Human) | Bcl-2-like protein 3,Bcl2-L-3,Bcl-2-related protein EAT/mcl1,mcl1/EAT |
| 2 | C, D (A, B) | 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid | non-polymer | 712.7 | 2 | Chemie (6AK) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 114 | Chemie (HOH) |
Sequence modifications
A, B: 172 - 327 (UniProt: Q07820)
| PDB | External Database | Details |
|---|---|---|
| Gly 169 | - | expression tag |
| Ala 170 | - | expression tag |
| Asp 171 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 36072.9 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1425.3 | |
| All* | Total formula weight | 37498.2 |
