Research workbench
X-ray co-crystal structure of compound 8 bound to human Mcl-1
Analyse X-ray co-crystal structure of compound 8 bound to human Mcl-1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6UDU
- Type
- protein
- Length
- 156 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.75
- Source
- Homo sapiens
- Molecule
- Induced myeloid leukemia cell differentiation protein Mcl-1
- UniProt
- Q07820
- Ligands
- Q4Y
- Pockets
- 1 · best druggability 0.60
Structure
x-ray diffraction · resolution 1.75 · 1 distinct chain · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Induced myeloid leukemia cell differentiation protein Mcl-1 | protein | 156 | 77% helix, 0% strand | Q07820 |
Ligands and binding sites
- Q4Y · (4S,11E,17R)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3', 4',8,9,10,13,14,15,16,17-decahydro-2'H,3H,5H,7H-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-A][1, 8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid · ligand · chains A
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 | 145 | 0.60 | 0.83 | 19 | Q4Y |
Compared structures
- 6UDU · X-ray co-crystal structure of compound 8 bound to human mcl-1 · 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 A against A, TM-score 0.95
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 6UDU · PDBe 6UDU · UniProt Q07820
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.