Research workbench
Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design
Analyse Discovery of potent Mcl-1 inhibitors using fragment-based methods and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4HW4
- Type
- protein
- Length
- 327 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.53
- Source
- Homo sapiens; SYNTHETIC CONSTRUCT
- Molecule
- Induced myeloid leukemia cell differentiation protein Mcl-1; Mcl-1 BH3 peptide
- UniProt
- Q07820
Structure
x-ray diffraction · resolution 1.53 · 3 distinct chains · 81% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Induced myeloid leukemia cell differentiation protein Mcl-1 | protein | 154 | 79% helix, 0% strand | Q07820 |
| B | Induced myeloid leukemia cell differentiation protein Mcl-1 | protein | 141 | 84% helix, 0% strand | Q07820 |
| C, D | Mcl-1 BH3 peptide | protein | 16 | 88% helix, 0% strand | — |
Interfaces
3 interfaces between chains.
- B–D · 796 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 791 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 18 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4HW4 · Discovery of potent mcl-1 inhibitors using fragment-based methods and structure-based… · the same entry in another collection · chain A against A, TM-score 1.00
- Q07820 · AlphaFold monomer V2.0 prediction for induced myeloid leukemia cell differentiation… · a predicted model of the same protein · chain B against A, TM-score 0.98
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 4HW4 · PDBe 4HW4 · UniProt Q07820
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