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Crystal Structure Analysis of a 6-coordinated Cytochorome P450 from Thermus thermophilus HB8
Analyse Crystal Structure Analysis of a 6-coordinated Cytochorome P450 from Thermus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1WIY
- Type
- protein
- Length
- 720 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2
- Source
- Thermus thermophilus
- Molecule
- Cytochrome P450
- UniProt
- Q53W59
- Ligands
- HEM
- Pockets
- 11 · best druggability 0.84
Structure
x-ray diffraction · resolution 2 · 2 distinct chains · 55% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 | protein | 358 | 55% helix, 11% strand | Q53W59 |
| B | Cytochrome P450 | protein | 362 | 55% helix, 11% strand | Q53W59 |
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
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 503 | 0.84 | 0.90 | 64 | HEM |
| 2 | 499 | 0.84 | 0.90 | 55 | HEM |
| 3 | 310 | 0.54 | 0.75 | 30 | empty |
| 4 | 76 | 0.41 | 0.79 | 17 | empty |
| 5 | 70 | 0.41 | 0.80 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 368 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1WIY · Crystal structure analysis of a 6-coordinated cytochorome P450 from thermus thermophilus… · 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 Q53W59
- Elsewhere: RCSB PDB 1WIY · PDBe 1WIY · UniProt Q53W59
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