Research workbench
Crystal structure of hypx from aquifex aeolicus in complex with tetrahydrofolic acid
Analyse Crystal structure of hypx from aquifex aeolicus in complex with tetrahydrofolic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6J1F
- Type
- protein
- Length
- 1,121 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydrogenase regulation hoxx
- UniProt
- O67224
- Ligands
- COA, THG
- Pockets
- 10 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydrogenase regulation hoxx | protein | 564 | 40% helix, 22% strand | O67224 |
| B | Hydrogenase regulation hoxx | protein | 557 | 40% helix, 23% strand | O67224 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- THG · (6S)-5,6,7,8-tetrahydrofolate · ligand · chains A
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1149 | 0.84 | 0.85 | 103 | COA, THG |
| 2 | 1170 | 0.82 | 0.83 | 87 | COA |
| 3 | 1029 | 0.76 | 0.78 | 88 | empty |
| 4 | 380 | 0.61 | 0.77 | 32 | empty |
| 5 | 84 | 0.42 | 0.79 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 507 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 6J1F · Crystal structure of HypX from Aquifex aeolicus in complex with Tetrahydrofolic acid · the same entry in another collection · chain B against B, 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 O67224
- Elsewhere: RCSB PDB 6J1F · PDBe 6J1F · UniProt O67224
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.