Research workbench
Crystal structure of the cytochrome P450 monooxygenase aurh (wildtype) from streptomyces thioluteus
Analyse Crystal structure of the cytochrome P450 monooxygenase aurh (wildtype) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3P3L
- Type
- protein
- Length
- 806 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450
- UniProt
- Q70KH6
- Ligands
- HEM, SO4, CL
- Pockets
- 5 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cytochrome P450 | protein | 403 | 55% helix, 10% strand | Q70KH6 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
- CL · Chloride ion · ion · chains B
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 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 | 896 | 0.84 | 0.85 | 86 | HEM |
| 2 | 907 | 0.84 | 0.85 | 82 | HEM |
| 3 | 216 | 0.48 | 0.75 | 24 | empty |
| 4 | 93 | 0.37 | 0.76 | 14 | empty |
| 5 | 79 | 0.35 | 0.75 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 130 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3P3L · Crystal Structure of the Cytochrome P450 monooxygenase AurH (wildtype) from Streptomyces… · 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 Q70KH6
- Elsewhere: RCSB PDB 3P3L · PDBe 3P3L · UniProt Q70KH6
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