MolNFT v1 · #103158 · protein
Structure of ancestral pyrr protein (ancgreenpyrr)
4P80 · Ancestral pyrr protein (green): “Structure of ancestral pyrr protein (ancgreenpyrr)”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.42). MolNFT v1 #103158 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4P80
- Type
- protein
- Length
- 329 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ancestral pyrr protein (green)
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.42
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ancestral pyrr protein (green) | protein | 164 | 33% helix, 33% strand | — |
| B | Ancestral pyrr protein (green) | protein | 165 | 32% helix, 33% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 142 | 0.42 | 0.75 | 22 | SO4 |
| 2 | 100 | 0.37 | 0.75 | 18 | SO4 |
| 3 | 52 | 0.26 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 853 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 4P80 · Structure of ancestral PyrR protein (AncGREENPyrR) · 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 4P80 · PDBe 4P80
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