Research workbench
Crystal structure of CYP105N1 from streptomyces coelicolor A3(2)
Analyse Crystal structure of CYP105N1 from streptomyces coelicolor A3(2) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3TYW
- Type
- protein
- Length
- 1,591 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative cytochrome P450
- UniProt
- Q9EWP1
- Ligands
- HEM
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 49% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative cytochrome P450 | protein | 397 | 49% helix, 10% strand | Q9EWP1 |
| C | Putative cytochrome P450 | protein | 398 | 50% helix, 9% strand | Q9EWP1 |
| D | Putative cytochrome P450 | protein | 399 | 49% helix, 9% strand | Q9EWP1 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 856 | 0.84 | 0.86 | 85 | HEM |
| 2 | 1101 | 0.82 | 0.83 | 80 | empty |
| 3 | 1044 | 0.81 | 0.82 | 86 | HEM |
| 4 | 1026 | 0.81 | 0.82 | 88 | HEM |
| 5 | 970 | 0.81 | 0.83 | 65 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1579 Ų buried · 15 hydrogen bonds · protein-protein
- B–D · 1528 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 423 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 3TYW · Crystal Structure of CYP105N1 from Streptomyces coelicolor A3(2) · 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 Q9EWP1
- Elsewhere: RCSB PDB 3TYW · PDBe 3TYW · UniProt Q9EWP1
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