MolNFT v1 · #65602 · protein
Crystal structure of ethanolamine utilization protein eutj from carboxydothermus hydrogenoformans
3H1Q: “Crystal structure of ethanolamine utilization protein eutj from carboxydothermus hydrogenoformans”. X-ray diffraction, 1 ligand (ATP), 3 pockets (best druggability 0.76). MolNFT v1 #65602 on GenesisL1: 3D structure, binding sites…
- PDB
- 3H1Q
- Type
- protein
- Length
- 540 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ethanolamine utilization protein eutj
- UniProt
- Q3AE93
- Ligands
- ATP
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ethanolamine utilization protein eutj | protein | 268 | 44% helix, 21% strand | Q3AE93 |
| B | Ethanolamine utilization protein eutj | protein | 272 | 46% helix, 24% strand | Q3AE93 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · 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 | 432 | 0.76 | 0.85 | 68 | ATP |
| 2 | 328 | 0.74 | 0.86 | 54 | ATP |
| 3 | 66 | 0.36 | 0.77 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 696 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 3H1Q · Crystal structure of ethanolamine utilization protein EutJ from Carboxydothermus… · 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 Q3AE93
- Elsewhere: RCSB PDB 3H1Q · PDBe 3H1Q · UniProt Q3AE93
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