MolNFT v1 · #108938 · protein
Structure of mbp-MCL1 bound to ligand 1 at 2.35A
4WMT · Mbp-MCL1 chimera protein: “Structure of mbp-MCL1 bound to ligand 1 at 2.35A”. X-ray diffraction, 2 ligands (865, GLC), 4 pockets (best druggability 0.71). MolNFT v1 #108938 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4WMT
- Type
- protein
- Length
- 513 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mbp-MCL1 chimera protein
- UniProt
- P0AEX9, Q07820
- Ligands
- 865, GLC
- Pockets
- 4 · best druggability 0.71
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 | 513 | 55% helix, 14% strand | P0AEX9, Q07820 |
Ligands and binding sites
- 865 · 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid · ligand · chains A
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A
- FMT · Formic acid · additive · 11 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 244 | 0.71 | 0.86 | 29 | GLC |
| 2 | 503 | 0.67 | 0.78 | 47 | empty |
| 3 | 139 | 0.61 | 0.84 | 18 | 865 |
| 4 | 63 | 0.29 | 0.73 | 15 | EDO, FMT |
Compared structures
- 4WMT · STRUCTURE OF MBP-MCL1 BOUND TO ligand 1 AT 2.35A · 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 P0AEX9
- Every structure of UniProt Q07820
- Elsewhere: RCSB PDB 4WMT · PDBe 4WMT · UniProt P0AEX9 · UniProt Q07820
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.