MolNFT v1 · #126706 · protein
Crystal structure of dimeric chlorite dismutase from cyanothece sp. PCC7425 (pH 6.5)
5MAU: “Crystal structure of dimeric chlorite dismutase from cyanothece sp. PCC7425 (pH 6.5)”. X-ray diffraction, 2 ligands (HEM, SO4), 5 pockets (best druggability 0.81). MolNFT v1 #126706 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5MAU
- Type
- protein
- Length
- 346 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chlorite dismutase
- UniProt
- B8HNS6
- Ligands
- HEM, SO4
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Chlorite dismutase | protein | 173 | 32% helix, 36% strand | B8HNS6 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, 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 | 577 | 0.81 | 0.86 | 61 | HEM |
| 2 | 540 | 0.80 | 0.86 | 59 | HEM |
| 3 | 65 | 0.38 | 0.78 | 12 | GOL |
| 4 | 69 | 0.37 | 0.78 | 12 | empty |
| 5 | 62 | 0.36 | 0.78 | 13 | GOL |
Interfaces
1 interface between chains.
- A–B · 961 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 5MAU · Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 (pH 6.5) · 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 5MAU · PDBe 5MAU · UniProt B8HNS6
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