Research workbench
Crystal structure of O67745, a hypothetical protein from aquifex aeolicus at 2.0 a resolution.
Analyse Crystal structure of O67745, a hypothetical protein from aquifex aeolicus at… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2HEK
- Type
- protein
- Length
- 738 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein
- UniProt
- O67745
- Ligands
- GDP, ZN, CL, PO4, BR
- Pockets
- 7 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hypothetical protein | protein | 369 | 54% helix, 14% strand | O67745 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 5 copies · chains A, B
- PO4 · Phosphate ion · ion · 4 copies · chains A, B
- BR · Bromide ion · ion · chains B
- GOL · Glycerol · additive · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 953 | 0.81 | 0.83 | 84 | GDP, GOL, PO4 |
| 2 | 475 | 0.67 | 0.79 | 49 | PO4, ZN, CL, GOL |
| 3 | 428 | 0.66 | 0.79 | 44 | PO4, CL, GOL |
| 4 | 228 | 0.54 | 0.77 | 27 | GDP, GOL |
| 5 | 68 | 0.42 | 0.80 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1281 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 2HEK · Crystal structure of O67745, a hypothetical protein from Aquifex aeolicus at 2.0 A… · 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 O67745
- Elsewhere: RCSB PDB 2HEK · PDBe 2HEK · UniProt O67745
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