MolNFT v1 · #128250 · protein
Joint NEUTRON/X-ray structure of dimeric chlorite dismutase from cyanothece sp. PCC7425
5NKU: “Joint NEUTRON/X-ray structure of dimeric chlorite dismutase from cyanothece sp. PCC7425”. X-ray diffraction; neutron diffraction, 3 ligands (HEM, OH, CL), 5 pockets (best druggability 0.81). MolNFT v1 #128250 on GenesisL1: 3D…
- PDB
- 5NKU
- Type
- protein
- Length
- 357 residues
- Chains
- 2
- Method
- x-ray diffraction; neutron diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chlorite dismutase
- UniProt
- B8HNS6
- Ligands
- HEM, OH, CL
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction; neutron diffraction · 2 distinct chains · 30% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chlorite dismutase | protein | 179 | 29% helix, 36% strand | B8HNS6 |
| B | Chlorite dismutase | protein | 178 | 31% helix, 36% strand | B8HNS6 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- OH · Hydroxide ion · ion · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A, B
- GOL · Glycerol · additive · chains B
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 | 543 | 0.81 | 0.87 | 52 | HEM, OH |
| 2 | 547 | 0.80 | 0.86 | 57 | HEM, OH |
| 3 | 77 | 0.45 | 0.81 | 17 | empty |
| 4 | 79 | 0.40 | 0.78 | 10 | GOL |
| 5 | 63 | 0.35 | 0.78 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 989 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 5NKU · Joint neutron/X-ray structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 · 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 B8HNS6
- Elsewhere: RCSB PDB 5NKU · PDBe 5NKU · UniProt B8HNS6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.