MolNFT v1 · #48795 · protein
Ensemble refinement of the protein crystal structure of gene product from arabidopsis thaliana AT5G02240
2Q46 · Protein AT5G02240: “Ensemble refinement of the protein crystal structure of gene product from arabidopsis thaliana AT5G02240”. X-ray diffraction, 1 ligand (NAP), 3 pockets (best druggability 0.69). MolNFT v1 #48795 on GenesisL1: 3D…
- PDB
- 2Q46
- Type
- protein
- Length
- 506 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein AT5G02240
- UniProt
- Q94EG6
- Ligands
- NAP
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protein AT5G02240 | protein | 253 | 34% helix, 21% strand | Q94EG6 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 462 | 0.69 | 0.80 | 47 | NAP |
| 2 | 431 | 0.67 | 0.79 | 45 | NAP |
| 3 | 61 | 0.34 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 45 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2Q46 · Ensemble refinement of the protein crystal structure of gene product from Arabidopsis… · the same entry in another collection · chain A against A, TM-score 1.00
- Q94EG6 · AlphaFold monomer V2.0 prediction for uncharacterized protein AT5G02240 (Q94EG6) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q94EG6
- Elsewhere: RCSB PDB 2Q46 · PDBe 2Q46 · UniProt Q94EG6
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