MolNFT v2 · #227496 · protein
Histidine-covalent alpha-helical peptide (compound 6) targeting hMcl-1
9CKN · Induced myeloid leukemia cell differentiation protein Mcl-1: “Histidine-covalent alpha-helical peptide (compound 6) targeting hMcl-1”. X-ray diffraction at 1.5, 1 pocket (best druggability 0.40). MolNFT v2 #227496 on GenesisL1: 3D…
- PDB
- 9CKN
- Type
- protein
- Length
- 311 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.5
- Source
- Homo sapiens; SYNTHETIC CONSTRUCT
- Molecule
- Induced myeloid leukemia cell differentiation protein Mcl-1; Helical Peptide
- UniProt
- Q07820
- Pockets
- 1 · best druggability 0.40
Structure
x-ray diffraction · resolution 1.5 · 3 distinct chains · 81% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Induced myeloid leukemia cell differentiation protein Mcl-1 | protein | 145 | 82% helix, 0% strand | Q07820 |
| B | Induced myeloid leukemia cell differentiation protein Mcl-1 | protein | 142 | 81% helix, 0% strand | Q07820 |
| D, E | Helical Peptide | protein | 12 | 75% helix, 0% strand | — |
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 | 143 | 0.40 | 0.74 | 19 | empty |
Interfaces
4 interfaces between chains.
- A–E · 727 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 722 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 105 Ų buried · 0 hydrogen bonds · protein-protein
- B–E · 51 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (sulfation).
Compared structures
- 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 0.97
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 9CKN · PDBe 9CKN · UniProt Q07820
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