MolNFT v1 · #164580 · protein
Multicomponent peptide stapling as a diversity-driven tool for the development of inhibitors of protein-protein interactions
6T2D · E3 ubiquitin-protein ligase MDM2: “Multicomponent peptide stapling as a diversity-driven tool for the development of inhibitors of…”. X-ray diffraction, 1 ligand (M9E). MolNFT v1 #164580 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6T2D
- Type
- protein
- Length
- 99 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- E3 ubiquitin-protein ligase MDM2; Stapled peptide GAR300-gp
- EC
- 2.3.2.27
- UniProt
- Q00987
- Ligands
- M9E
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | E3 ubiquitin-protein ligase MDM2 (EC 2.3.2.27) | protein | 85 | 44% helix, 13% strand | Q00987 |
| B | Stapled peptide GAR300-gp | protein | 14 | 79% helix, 0% strand | — |
Ligands and binding sites
- M9E · 2-(methylamino)-~{N}-[[4-[[2-(methylamino) ethanoylamino]methyl]phenyl]methyl]ethanamide · ligand · chains A, B
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
1 interface between chains.
- A–B · 716 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 6T2D · Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of… · 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 Q00987
- Elsewhere: RCSB PDB 6T2D · PDBe 6T2D · UniProt Q00987
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.