MolNFT v1 · #26651 · protein
Structure of conserved hypothetical protein PAE2307 from pyrobaculum aerophilum
1WVQ: “Structure of conserved hypothetical protein PAE2307 from pyrobaculum aerophilum”. X-ray diffraction, 1 ligand (PO4), 4 pockets (best druggability 0.79). MolNFT v1 #26651 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1WVQ
- Type
- protein
- Length
- 488 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein PAE2307
- Ligands
- PO4
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hypothetical protein PAE2307 | protein | 163 | 29% helix, 36% strand | — |
| C | Hypothetical protein PAE2307 | protein | 162 | 29% helix, 36% strand | — |
Ligands and binding sites
- PO4 · Phosphate ion · ion · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 201 | 0.79 | 0.94 | 22 | PO4 |
| 2 | 166 | 0.46 | 0.76 | 23 | empty |
| 3 | 106 | 0.46 | 0.79 | 17 | empty |
| 4 | 147 | 0.45 | 0.76 | 22 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1956 Ų buried · 33 hydrogen bonds · protein-protein
- A–B · 1937 Ų buried · 33 hydrogen bonds · protein-protein
- B–C · 1927 Ų buried · 31 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (phosphorylation).
Compared structures
- 1WVQ · Structure of conserved hypothetical protein PAE2307 from Pyrobaculum aerophilum · 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 1WVQ · PDBe 1WVQ
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