Research workbench
Cytochrome P411 P-4 A82L A78V F263L amination catalyst
Analyse Cytochrome P411 P-4 A82L A78V F263L amination catalyst in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5UCW
- Type
- protein
- Length
- 906 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NADPH-cytochrome P450 reductase 102A1V3
- UniProt
- F2Q7T0
- Ligands
- HEM
- Pockets
- 9 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NADPH-cytochrome P450 reductase 102A1V3 | protein | 453 | 54% helix, 11% strand | F2Q7T0 |
| B | NADPH-cytochrome P450 reductase 102A1V3 | protein | 453 | 55% helix, 11% strand | F2Q7T0 |
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
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 858 | 0.88 | 0.90 | 92 | HEM |
| 2 | 776 | 0.88 | 0.90 | 81 | HEM |
| 3 | 485 | 0.58 | 0.73 | 38 | empty |
| 4 | 191 | 0.57 | 0.80 | 23 | empty |
| 5 | 178 | 0.56 | 0.80 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 120 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5UCW · Cytochrome P411 P-4 A82L A78V F263L amination catalyst · 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 F2Q7T0
- Elsewhere: RCSB PDB 5UCW · PDBe 5UCW · UniProt F2Q7T0
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