MolNFT v1 · #83484 · protein
Crystal structure of hype in complex with a nucleotide
3WJR · Hydrogenase EXPRESSION/FORMATION protein hype: “Crystal structure of hype in complex with a nucleotide”. X-ray diffraction, 4 ligands (BEN, AMP, MG), 2 pockets (best druggability 0.70). MolNFT v1 #83484 on GenesisL1: 3D structure…
- PDB
- 3WJR
- Type
- protein
- Length
- 336 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydrogenase EXPRESSION/FORMATION protein hype
- UniProt
- Q5JII7
- Ligands
- BEN, AMP, MG, SO4
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydrogenase EXPRESSION/FORMATION protein hype | protein | 336 | 35% helix, 25% strand | Q5JII7 |
Ligands and binding sites
- BEN · Benzamidine · ligand · 2 copies · chains A
- AMP · Adenosine monophosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · 5 copies · chains A
- PGE · Triethylene glycol · additive · chains A
- GOL · Glycerol · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 511 | 0.70 | 0.80 | 57 | AMP, MG |
| 2 | 86 | 0.37 | 0.76 | 24 | empty |
Compared structures
- 3WJR · crystal structure of HypE in complex with a nucleotide · 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 Q5JII7
- Elsewhere: RCSB PDB 3WJR · PDBe 3WJR · UniProt Q5JII7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.