MolNFT v1 · #108942 · protein
The structure of mbp-MCL1 bound to ligand 6 at 2.0A
4WMX · Mbp-MCL1 chimera protein: “The structure of mbp-MCL1 bound to ligand 6 at 2.0A”. X-ray diffraction, 3 ligands (3R7, GLC, MG), 3 pockets (best druggability 0.70). MolNFT v1 #108942 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4WMX
- Type
- protein
- Length
- 516 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mbp-MCL1 chimera protein
- UniProt
- P0AEX9, Q07820
- Ligands
- 3R7, GLC, MG
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mbp-MCL1 chimera protein | protein | 516 | 55% helix, 14% strand | P0AEX9, Q07820 |
Ligands and binding sites
- 3R7 · 4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid · ligand · chains A
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A
- MG · Magnesium ion · metal · chains A
- FMT · Formic acid · additive · 10 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 222 | 0.70 | 0.86 | 30 | GLC |
| 2 | 480 | 0.67 | 0.79 | 47 | FMT |
| 3 | 111 | 0.51 | 0.80 | 19 | 3R7 |
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 P0AEX9
- Every structure of UniProt Q07820
- Elsewhere: RCSB PDB 4WMX · PDBe 4WMX · UniProt P0AEX9 · UniProt Q07820
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