MolNFT v1 · #153042 · protein
Crystal structure of hypx from aquifex aeolicus, A392F-I419F variant
6J1I · Hydrogenase regulation hoxx: “Crystal structure of hypx from aquifex aeolicus, A392F-I419F variant”. X-ray diffraction, 1 ligand (COA), 5 pockets (best druggability 0.85). MolNFT v1 #153042 on GenesisL1: 3D structure, binding sites…
- PDB
- 6J1I
- Type
- protein
- Length
- 563 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydrogenase regulation hoxx
- UniProt
- O67224
- Ligands
- COA
- Pockets
- 5 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydrogenase regulation hoxx | protein | 563 | 40% helix, 23% strand | O67224 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1142 | 0.85 | 0.86 | 96 | COA |
| 2 | 375 | 0.58 | 0.76 | 39 | empty |
| 3 | 88 | 0.35 | 0.75 | 19 | empty |
| 4 | 89 | 0.34 | 0.74 | 12 | empty |
| 5 | 64 | 0.34 | 0.77 | 13 | empty |
Compared structures
- 6J1I · Crystal structure of HypX from Aquifex aeolicus, A392F-I419F variant · 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 6J1I · PDBe 6J1I · UniProt O67224
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