MolNFT v1 · #80013 · protein
Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl) imidazole
3TK3: “Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl) imidazole”. X-ray diffraction, 2 ligands (HEM, CPZ), 20 pockets (best druggability 0.87). MolNFT v1 #80013 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3TK3
- Type
- protein
- Length
- 1,860 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 2B4
- EC
- 1.14.14.1
- UniProt
- P00178
- Ligands
- HEM, CPZ
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Cytochrome P450 2B4 (EC 1.14.14.1) | protein | 465 | 53% helix, 10% strand | P00178 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
- CPZ · 4-(4-chlorophenyl)imidazole · 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, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 453 | 0.87 | 0.94 | 53 | HEM, CPZ |
| 2 | 412 | 0.86 | 0.94 | 51 | HEM, CPZ |
| 3 | 456 | 0.85 | 0.92 | 53 | HEM, CPZ |
| 4 | 438 | 0.85 | 0.92 | 51 | HEM, CPZ |
| 5 | 622 | 0.72 | 0.80 | 45 | empty |
Interfaces
4 interfaces between chains.
- A–C · 726 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 715 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 434 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 351 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3TK3 · Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl)imidazole · the same entry in another collection · chain D against D, TM-score 1.00
- P00178 · AlphaFold monomer V2.0 prediction for cytochrome P450 2B4 (P00178) · a predicted model of the same protein · chain C against A, TM-score 0.99
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 P00178
- Elsewhere: RCSB PDB 3TK3 · PDBe 3TK3 · UniProt P00178
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.