MolNFT v1 · #48350 · protein
X-ray crystal structure of human mcl-1 in complex with bim BH3
2PQK · Induced myeloid leukemia cell differentiation protein mcl- 1: “X-ray crystal structure of human mcl-1 in complex with bim BH3”. X-ray diffraction, 2 ligands (ZN, NA), 1 pocket (best druggability 0.32). MolNFT v1 #48350 on GenesisL1…
- PDB
- 2PQK
- Type
- protein
- Length
- 168 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Induced myeloid leukemia cell differentiation protein mcl- 1; Bim BH3 peptide
- UniProt
- Q07820
- Ligands
- ZN, NA
- Pockets
- 1 · best druggability 0.32
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Induced myeloid leukemia cell differentiation protein mcl- 1 | protein | 145 | 75% helix, 0% strand | Q07820 |
| B | Bim BH3 peptide | protein | 23 | 87% helix, 0% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 66 | 0.32 | 0.76 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1056 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 2PQK · X-ray crystal structure of human Mcl-1 in complex with Bim BH3 · 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 2PQK · PDBe 2PQK · UniProt Q07820
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