MolNFT v1 · #87060 · protein
Mcl-1 bound to alpha beta puma BH3 peptide 3
4BPJ · Fusion protein consisting of induced myeloid leukemia cell…: “Mcl-1 bound to alpha beta puma BH3 peptide 3”. X-ray diffraction, 3 ligands (ZN, CL, NH2), 1 pocket (best druggability 0.55). MolNFT v1 #87060 on GenesisL1: 3D structure…
- PDB
- 4BPJ
- Type
- protein
- Length
- 162 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fusion protein consisting of induced myeloid leukemia cell differentiation protein mcl-1…
- UniProt
- P97287, Q07820
- Ligands
- ZN, CL, NH2
- Pockets
- 1 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fusion protein consisting of induced myeloid leukemia cell differentiation protein mcl-1 homolog | protein | 144 | 79% helix, 0% strand | P97287, Q07820 |
| D | Alpha beta BH3-peptide | protein | 18 | 83% helix, 0% strand | — |
Ligands and binding sites
- ZN · Zinc ion · metal · 5 copies · chains A, D
- CL · Chloride ion · ion · 4 copies · chains A, D
- NH2 · Amino group · ion · chains A, D
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 | 83 | 0.55 | 0.85 | 20 | empty |
Interfaces
1 interface between chains.
- A–D · 795 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified, 1 d-amino (nonstandard, D-amino acid).
Compared structures
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 P97287
- Every structure of UniProt Q07820
- Elsewhere: RCSB PDB 4BPJ · PDBe 4BPJ · UniProt P97287 · UniProt Q07820
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