MolNFT v1 · #186574 · protein
Griffithsin mutant Y28F/Y68F/Y110F
7RIB: “Griffithsin mutant Y28F/Y68F/Y110F”. X-ray diffraction, 2 ligands (MAN, SO4), 3 pockets (best druggability 0.51). MolNFT v1 #186574 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7RIB
- Type
- protein
- Length
- 363 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Griffithsin
- UniProt
- P84801
- Ligands
- MAN, SO4
- Pockets
- 3 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 55% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Griffithsin | protein | 121 | 0% helix, 55% strand | P84801 |
Ligands and binding sites
- MAN · alpha-D-mannopyranose · sugar · 6 copies · chains A, B, C
- SO4 · Sulfate ion · ion · 3 copies · chains A, C
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 | 145 | 0.51 | 0.79 | 29 | empty |
| 2 | 148 | 0.49 | 0.78 | 28 | empty |
| 3 | 56 | 0.32 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- B–C · 2203 Ų buried · 58 hydrogen bonds · protein-protein
Compared structures
- 7RIB · Griffithsin mutant Y28F/Y68F/Y110F · 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 P84801
- Elsewhere: RCSB PDB 7RIB · PDBe 7RIB · UniProt P84801
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