8T6F
Crystal structure of human MBP-Myeloid cell leukemia 1 (Mcl-1) in complex with BRD810 inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Maltose/maltodextrin-binding periplasmic protein/Induced myeloid leukemia cell differentiation protein Mcl-1 Chimera | polymer | 518 | 57310.9 | 1 | UniProt (P0AEX9) UniProt (Q07820) Pfam (PF01547) Pfam (PF00452) | Escherichia coli K-12 | |
| 2 | B (B) | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | branched | 342.3 | 1 | In PDB GlyTouCan (G07411ON) | |||
| 3 | C (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 4 | D (A) | (3aM,9S,15R)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-2-methyl-15-[2-(morpholin-4-yl)ethyl]-2,10,11,12,13,15-hexahydropyrazolo[4',3':9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic acid | non-polymer | 703.2 | 1 | Chemie (YI7) | |||
| 5 | E (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 6 | F (A) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
| 7 | G (A) | water | water | 18.0 | 405 | Chemie (HOH) |
Sequence modifications
A: -195 - 170 (UniProt: P0AEX9)
A: 174 - 321 (UniProt: Q07820)
| PDB | External Database | Details |
|---|---|---|
| Gly -196 | - | expression tag |
| Gly 171 | - | linker |
| Ser 172 | - | linker |
| Glu 173 | - | linker |
| PDB | External Database | Details |
|---|---|---|
| Ala 194 | Lys 194 | engineered mutation |
| Ala 197 | Lys 197 | engineered mutation |
| Ala 201 | Arg 201 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 57310.9 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 342.3 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 955.9 | |
| All* | Total formula weight | 58609.0 |
