MolNFT v1 · #175960 · protein
X-ray structure of a domain-swapped dimer of monellin with yedkg loop- 1 mutant
7D75 · Single chain monellin: “X-ray structure of a domain-swapped dimer of monellin with yedkg loop- 1 mutant”. X-ray diffraction, 2 ligands (MG, SO4), 1 pocket (best druggability 0.54). MolNFT v1 #175960 on GenesisL1: 3D structure…
- PDB
- 7D75
- Type
- protein
- Length
- 360 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Single chain monellin
- Ligands
- MG, SO4
- Pockets
- 1 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 19% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Single chain monellin | protein | 90 | 19% helix, 54% strand | — |
Ligands and binding sites
- MG · Magnesium ion · metal · 18 copies · chains A, B, D, C
- SO4 · Sulfate ion · ion · 12 copies · chains A, C, B, D
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B, 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 | 161 | 0.54 | 0.80 | 32 | SO4 |
Interfaces
6 interfaces between chains.
- A–B · 2766 Ų buried · 37 hydrogen bonds · protein-protein
- C–D · 2705 Ų buried · 37 hydrogen bonds · protein-protein
- B–D · 289 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 111 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 72 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7D75 · X-ray structure of a domain-swapped dimer of Monellin with YEDKG loop-1 mutant · 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
- Elsewhere: RCSB PDB 7D75 · PDBe 7D75
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