MolNFT v1 · #146594 · protein
Understanding the species selectivity of myeloid cell leukemia-1 (mcl- 1) inhibitors
6DM8: “Understanding the species selectivity of myeloid cell leukemia-1 (mcl- 1) inhibitors”. X-ray diffraction, 2 ligands (6AK, GLC). MolNFT v1 #146594 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6DM8
- Type
- protein
- Length
- 4,050 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0AEX9, P97287
- Ligands
- 6AK, GLC
Structure
x-ray diffraction · 8 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 513 | — | P0AEX9, P97287 |
| B | — | protein | 507 | — | P0AEX9, P97287 |
| C | — | protein | 508 | — | P0AEX9, P97287 |
| D | — | protein | 504 | — | P0AEX9, P97287 |
| E | — | protein | 507 | — | P0AEX9, P97287 |
| F | — | protein | 504 | — | P0AEX9, P97287 |
| G | — | protein | 506 | — | P0AEX9, P97287 |
| H | — | protein | 501 | — | P0AEX9, P97287 |
Ligands and binding sites
- 6AK · 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 · ligand · 24 copies · chains A, C, F, G, B, H, D, E
- GLC · alpha-D-glucopyranose · sugar · 16 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6DM8 · Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors · the same entry in another collection · chain C against C, TM-score 1.00
- P97287 · AlphaFold monomer V2.0 prediction for induced myeloid leukemia cell differentiation… · a predicted model of the same protein · chain B against A, TM-score 0.31
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P0AEX9
- Every structure of UniProt P97287
- Elsewhere: RCSB PDB 6DM8 · PDBe 6DM8 · UniProt P0AEX9 · UniProt P97287
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