MolNFT v1 · #38048 · protein
Structure of PAE2307 in complex with adenosine
2GL0 · Conserved hypothetical protein: “Structure of PAE2307 in complex with adenosine”. X-ray diffraction, 2 ligands (ADN, PO4), 10 pockets (best druggability 0.90). MolNFT v1 #38048 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2GL0
- Type
- protein
- Length
- 976 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Conserved hypothetical protein
- EC
- 2.7.1.20
- UniProt
- Q8ZVF7
- Ligands
- ADN, PO4
- Pockets
- 10 · best druggability 0.90
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D, E | Conserved hypothetical protein (EC 2.7.1.20) | protein | 163 | 28% helix, 37% strand | Q8ZVF7 |
| C, F | Conserved hypothetical protein (EC 2.7.1.20) | protein | 162 | 29% helix, 36% strand | Q8ZVF7 |
Ligands and binding sites
- ADN · Adenosine · ligand · 6 copies · chains A, B, C, D, E, F
- PO4 · Phosphate ion · ion · 2 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1140 | 0.90 | 0.92 | 104 | empty |
| 2 | 182 | 0.79 | 0.95 | 22 | PO4 |
| 3 | 166 | 0.79 | 0.95 | 22 | PO4 |
| 4 | 208 | 0.53 | 0.77 | 24 | ADN |
| 5 | 176 | 0.52 | 0.78 | 25 | ADN |
Interfaces
15 interfaces between chains.
- D–E · 1967 Ų buried · 39 hydrogen bonds · protein-protein
- E–F · 1960 Ų buried · 35 hydrogen bonds · protein-protein
- A–C · 1949 Ų buried · 32 hydrogen bonds · protein-protein
- A–B · 1941 Ų buried · 37 hydrogen bonds · protein-protein
- D–F · 1935 Ų buried · 34 hydrogen bonds · protein-protein
Compared structures
- 2GL0 · Structure of PAE2307 in complex with adenosine · 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 Q8ZVF7
- Elsewhere: RCSB PDB 2GL0 · PDBe 2GL0 · UniProt Q8ZVF7
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