MolNFT v1 · #157900 · protein
Discovery of potent myeloid cell leukemia-1 (mcl-1) inhibitors that demonstrate in vivo activity in mouse xenograft models of human cancer
6NE5: “Discovery of potent myeloid cell leukemia-1 (mcl-1) inhibitors that demonstrate in vivo activity in mouse…”. X-ray diffraction, 1 ligand (KJP). MolNFT v1 #157900 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6NE5
- Type
- protein
- Length
- 600 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q07820
- Ligands
- KJP
Structure
x-ray diffraction · 3 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | — | protein | 151 | — | Q07820 |
| C | — | protein | 150 | — | Q07820 |
| D | — | protein | 148 | — | Q07820 |
Ligands and binding sites
- KJP · 3-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy) propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-1-methyl-1H-indole-5-carboxylic acid · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6NE5 · Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors that Demonstrate in vivo… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q07820
- Elsewhere: RCSB PDB 6NE5 · PDBe 6NE5 · UniProt Q07820
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