Research workbench
Crystal structure of the diheme peroxidase btha from burkholderia thailandensis E264
Analyse Crystal structure of the diheme peroxidase btha from burkholderia thailandensis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6NX0
- Type
- protein
- Length
- 413 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Di-haem cytochrome C peroxidase family protein
- UniProt
- Q2T6B0
- Ligands
- HEC, NO3, CL
- Pockets
- 5 · best druggability 0.89
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Di-haem cytochrome C peroxidase family protein | protein | 413 | 39% helix, 9% strand | Q2T6B0 |
Ligands and binding sites
- HEC · Heme C · ligand · 2 copies · chains A
- NO3 · Nitrate ion · ion · 5 copies · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · chains A
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 | 786 | 0.89 | 0.92 | 108 | HEC |
| 2 | 114 | 0.51 | 0.81 | 20 | empty |
| 3 | 54 | 0.44 | 0.83 | 15 | empty |
| 4 | 55 | 0.32 | 0.77 | 13 | empty |
| 5 | 51 | 0.31 | 0.77 | 16 | empty |
Modifications
Observed in the structure: 4 cofactor, 1 disulfide (heme c attachment, disulfide).
Compared structures
- 6NX0 · Crystal structure of the diheme peroxidase BthA from Burkholderia thailandensis E264 · 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 Q2T6B0
- Elsewhere: RCSB PDB 6NX0 · PDBe 6NX0 · UniProt Q2T6B0
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