MolNFT v1 · #153038 · protein
Crystal structure of hypx from aquifex aeolicus (crystal form II)
6J1E · Hydrogenase regulation hoxx: “Crystal structure of hypx from aquifex aeolicus (crystal form II)”. X-ray diffraction, 1 ligand (COA), 6 pockets (best druggability 0.84). MolNFT v1 #153038 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6J1E
- Type
- protein
- Length
- 546 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydrogenase regulation hoxx
- UniProt
- O67224
- Ligands
- COA
- Pockets
- 6 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydrogenase regulation hoxx | protein | 546 | 40% helix, 23% strand | O67224 |
Ligands and binding sites
- COA · Coenzyme A · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1138 | 0.84 | 0.85 | 106 | COA |
| 2 | 369 | 0.60 | 0.77 | 37 | empty |
| 3 | 84 | 0.41 | 0.79 | 15 | empty |
| 4 | 85 | 0.36 | 0.76 | 20 | empty |
| 5 | 75 | 0.32 | 0.74 | 14 | empty |
Compared structures
- 6J1E · Crystal structure of HypX from Aquifex aeolicus (Crystal Form II) · 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 O67224
- Elsewhere: RCSB PDB 6J1E · PDBe 6J1E · UniProt O67224
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