MolNFT v1 · #136491 · protein
Human mcl-1 in complex with a bfl-1-specific selected peptide
5UUM · Induced myeloid leukemia cell differentiation protein mcl- 1: “Human mcl-1 in complex with a bfl-1-specific selected peptide”. X-ray diffraction, 2 ligands (ZN, SO4), 3 pockets (best druggability 0.77). MolNFT v1 #136491 on…
- PDB
- 5UUM
- Type
- protein
- Length
- 358 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Induced myeloid leukemia cell differentiation protein mcl- 1; Bfl-1 specific peptide FS2
- UniProt
- Q07820
- Ligands
- ZN, SO4
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Induced myeloid leukemia cell differentiation protein mcl- 1 | protein | 156 | 76% helix, 0% strand | Q07820 |
| C, D | Bfl-1 specific peptide FS2 | protein | 23 | 87% helix, 0% strand | — |
Ligands and binding sites
- ZN · Zinc ion · metal · 8 copies · chains A, C, B, D
- SO4 · Sulfate ion · ion · 2 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 855 | 0.77 | 0.80 | 59 | empty |
| 2 | 57 | 0.39 | 0.81 | 18 | empty |
| 3 | 69 | 0.35 | 0.76 | 14 | empty |
Interfaces
3 interfaces between chains.
- B–D · 982 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 979 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 292 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 5UUM · Human Mcl-1 in complex with a Bfl-1-specific selected peptide · 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 Q07820
- Elsewhere: RCSB PDB 5UUM · PDBe 5UUM · UniProt Q07820
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