MolNFT v1 · #153040 · protein
Crystal structure of hypx from aquifex aeolicus, R9A-Q15A-R131A-R542A variant
6J1G · Hydrogenase regulation hoxx: “Crystal structure of hypx from aquifex aeolicus, R9A-Q15A-R131A-R542A variant”. X-ray diffraction, 1 ligand (COA), 9 pockets (best druggability 0.80). MolNFT v1 #153040 on GenesisL1: 3D structure…
- PDB
- 6J1G
- Type
- protein
- Length
- 544 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydrogenase regulation hoxx
- UniProt
- O67224
- Ligands
- COA
- Pockets
- 9 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydrogenase regulation hoxx | protein | 544 | 41% helix, 23% strand | O67224 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1111 | 0.80 | 0.81 | 98 | COA |
| 2 | 61 | 0.60 | 0.90 | 17 | empty |
| 3 | 360 | 0.59 | 0.77 | 33 | empty |
| 4 | 50 | 0.38 | 0.81 | 12 | empty |
| 5 | 92 | 0.36 | 0.75 | 19 | empty |
Compared structures
- 6J1G · Crystal structure of HypX from Aquifex aeolicus, R9A-Q15A-R131A-R542A 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 6J1G · PDBe 6J1G · UniProt O67224
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