MolNFT v1 · #161338 · protein
MCL1 in complex with a Fab
6QB6 · Induced myeloid leukemia cell differentiation protein mcl- 1: “MCL1 in complex with a Fab”. X-ray diffraction, 6 pockets (best druggability 0.59). MolNFT v1 #161338 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6QB6
- Type
- protein
- Length
- 582 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Induced myeloid leukemia cell differentiation protein mcl- 1; Fab heavy chain; Fab light…
- UniProt
- Q07820
- Pockets
- 6 · best druggability 0.59
Structure
x-ray diffraction · 3 distinct chains · 26% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Induced myeloid leukemia cell differentiation protein mcl- 1 | protein | 159 | 76% helix, 0% strand | Q07820 |
| H | Fab heavy chain | protein | 210 | 9% helix, 54% strand | — |
| L | Fab light chain | protein | 213 | 6% helix, 53% strand | — |
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 428 | 0.59 | 0.75 | 35 | empty |
| 2 | 216 | 0.47 | 0.74 | 27 | empty |
| 3 | 89 | 0.44 | 0.79 | 12 | empty |
| 4 | 94 | 0.39 | 0.76 | 18 | empty |
| 5 | 114 | 0.39 | 0.75 | 27 | empty |
Interfaces
3 interfaces between chains.
- H–L · 1819 Ų buried · 15 hydrogen bonds · protein-protein
- A–H · 779 Ų buried · 17 hydrogen bonds · protein-protein
- A–L · 129 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6QB6 · Mcl1 in complex with a Fab · 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 6QB6 · PDBe 6QB6 · UniProt Q07820
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