MolNFT v1 · #153017 · protein
Crystal structure of hypx from aquifex aeolicus (crystal form I)
6J0P · Hydrogenase regulation hoxx: “Crystal structure of hypx from aquifex aeolicus (crystal form I)”. X-ray diffraction, 1 ligand (COA), 13 pockets (best druggability 0.85). MolNFT v1 #153017 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6J0P
- Type
- protein
- Length
- 1,127 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydrogenase regulation hoxx
- UniProt
- O67224
- Ligands
- COA
- Pockets
- 13 · best druggability 0.85
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 | 563 | 40% helix, 22% strand | O67224 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1056 | 0.85 | 0.86 | 98 | COA |
| 2 | 1167 | 0.83 | 0.84 | 95 | COA |
| 3 | 1169 | 0.76 | 0.78 | 83 | empty |
| 4 | 365 | 0.60 | 0.77 | 33 | empty |
| 5 | 90 | 0.40 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 526 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 6J0P · Crystal structure of HypX from Aquifex aeolicus (Crystal Form I) · 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 6J0P · PDBe 6J0P · UniProt O67224
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