4HW3
Discovery of potent Mcl-1 inhibitors using fragment-based methods and 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, C, D, E... (A, B, C, D, E...) | Induced myeloid leukemia cell differentiation protein Mcl-1 | polymer | 153 | 17493.9 | 12 | UniProt (Q07820) Pfam (PF00452) | Homo sapiens (human) | Bcl-2-like protein 3, Bcl2-L-3, Bcl-2-related protein EAT/mcl1, mcl1/EAT |
| 2 | M, N, O, P, Q... (A, B, C, D, E...) | 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid | non-polymer | 374.9 | 12 | Chemie (19G) | |||
| 3 | AA, BA, CA, DA, EA... (C, D, E, F, G...) | water | water | 18.0 | 251 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H, I, J, K, L: 172 - 323 (UniProt: Q07820)
| PDB | External Database | Details |
|---|---|---|
| Gly 171 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 12 |
| Total formula weight | 209926.9 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 4498.6 | |
| All* | Total formula weight | 214425.4 |
