Research workbench
Crystal structure of human mcl-1 bound to inhibitor 4-hydroxy-4'- propylbiphenyl-3-carboxylic acid
Analyse Crystal structure of human mcl-1 bound to inhibitor 4-hydroxy-4'… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4OQ6
- Type
- protein
- Length
- 282 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Induced myeloid leukemia cell differentiation protein mcl- 1
- UniProt
- Q07820
- Ligands
- 2UV
- Pockets
- 1 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 84% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Induced myeloid leukemia cell differentiation protein mcl- 1 | protein | 141 | 84% helix, 0% strand | Q07820 |
| B | Induced myeloid leukemia cell differentiation protein mcl- 1 | protein | 141 | 84% helix, 0% strand | Q07820 |
Ligands and binding sites
- 2UV · 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 819 | 0.81 | 0.83 | 42 | 2UV |
Interfaces
1 interface between chains.
- A–B · 673 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4OQ6 · Crystal Structure of Human MCL-1 Bound to Inhibitor… · the same entry in another collection · chain B against B, 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 4OQ6 · PDBe 4OQ6 · UniProt Q07820
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