MolNFT v1 · #76586 · protein
Crystal structure of dimeric chlorite dismutases from nitrobacter winogradskyi
3QPI: “Crystal structure of dimeric chlorite dismutases from nitrobacter winogradskyi”. X-ray diffraction, 1 ligand (HEM), 3 pockets (best druggability 0.81). MolNFT v1 #76586 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3QPI
- Type
- protein
- Length
- 344 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chlorite dismutase
- EC
- 1.13.11.49
- UniProt
- Q3SPU6
- Ligands
- HEM
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chlorite dismutase (EC 1.13.11.49) | protein | 173 | 29% helix, 35% strand | Q3SPU6 |
| B | Chlorite dismutase (EC 1.13.11.49) | protein | 171 | 30% helix, 35% strand | Q3SPU6 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 579 | 0.81 | 0.87 | 61 | HEM |
| 2 | 542 | 0.81 | 0.87 | 58 | HEM |
| 3 | 59 | 0.29 | 0.74 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 1022 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 3QPI · Crystal Structure of Dimeric Chlorite Dismutases from Nitrobacter winogradskyi · 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 Q3SPU6
- Elsewhere: RCSB PDB 3QPI · PDBe 3QPI · UniProt Q3SPU6
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