MolNFT v1 · #109724 · protein
HNT3
4XBA · Aprataxin-like protein: “HNT3”. X-ray diffraction, 3 ligands (GMP, 5GP, ZN), 3 pockets (best druggability 0.82). MolNFT v1 #109724 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4XBA
- Type
- protein
- Length
- 392 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aprataxin-like protein
- EC
- 3.-.-.-
- UniProt
- O74859
- Ligands
- GMP, 5GP, ZN
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aprataxin-like protein (EC 3.-.-.-) | protein | 199 | 39% helix, 16% strand | O74859 |
| B | Aprataxin-like protein (EC 3.-.-.-) | protein | 193 | 39% helix, 16% strand | O74859 |
Ligands and binding sites
- GMP · Guanosine · ligand · chains A
- 5GP · Guanosine-5'-monophosphate · ligand · chains B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 998 | 0.82 | 0.83 | 82 | GOL |
| 2 | 152 | 0.55 | 0.81 | 23 | GMP |
| 3 | 168 | 0.52 | 0.78 | 25 | 5GP |
Interfaces
1 interface between chains.
- A–B · 682 Ų buried · 5 hydrogen bonds · protein-protein
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 O74859
- Elsewhere: RCSB PDB 4XBA · PDBe 4XBA · UniProt O74859
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