MolNFT v1 · #24865 · protein
Crystal structure of PAE2754 from pyrobaculum aerophilum
1V8O · Hypothetical protein PAE2754: “Crystal structure of PAE2754 from pyrobaculum aerophilum”. X-ray diffraction, 1 ligand (CL), 14 pockets (best druggability 0.79). MolNFT v1 #24865 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1V8O
- Type
- protein
- Length
- 1,066 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein PAE2754
- UniProt
- Q8ZUJ3
- Ligands
- CL
- Pockets
- 14 · best druggability 0.79
Structure
x-ray diffraction · 5 distinct chains · 61% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, E, G | Hypothetical protein PAE2754 | protein | 132 | 64% helix, 9% strand | Q8ZUJ3 |
| B | Hypothetical protein PAE2754 | protein | 134 | 60% helix, 9% strand | Q8ZUJ3 |
| C | Hypothetical protein PAE2754 | protein | 135 | 59% helix, 9% strand | Q8ZUJ3 |
| F | Hypothetical protein PAE2754 | protein | 133 | 60% helix, 9% strand | Q8ZUJ3 |
| H | Hypothetical protein PAE2754 | protein | 136 | 62% helix, 9% strand | Q8ZUJ3 |
Ligands and binding sites
- CL · Chloride ion · ion · 4 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1165 | 0.79 | 0.80 | 92 | CL |
| 2 | 380 | 0.71 | 0.83 | 50 | CL |
| 3 | 206 | 0.63 | 0.83 | 34 | CL |
| 4 | 198 | 0.62 | 0.82 | 23 | empty |
| 5 | 243 | 0.60 | 0.80 | 29 | empty |
Interfaces
14 interfaces between chains.
- A–B · 1555 Ų buried · 10 hydrogen bonds · protein-protein
- E–F · 1550 Ų buried · 10 hydrogen bonds · protein-protein
- G–H · 1521 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 1500 Ų buried · 9 hydrogen bonds · protein-protein
- C–F · 610 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified (engineered).
Compared structures
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 Q8ZUJ3
- Elsewhere: RCSB PDB 1V8O · PDBe 1V8O · UniProt Q8ZUJ3
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