MolNFT v1 · #22080 · protein
Structure of mammalian cytochrome P450 2B4 with bound 4-(4- CHLOROPHENYL)IMIDAZOLE
1SUO: “Structure of mammalian cytochrome P450 2B4 with bound 4-(4- CHLOROPHENYL)IMIDAZOLE”. X-ray diffraction, 2 ligands (HEM, CPZ), 7 pockets (best druggability 0.86). MolNFT v1 #22080 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1SUO
- Type
- protein
- Length
- 465 residues
- Chains
- 1
- 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
- 7 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 2B4 (EC 1.14.14.1) | protein | 465 | 53% helix, 9% strand | P00178 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- CPZ · 4-(4-chlorophenyl)imidazole · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 371 | 0.86 | 0.94 | 46 | HEM, CPZ |
| 2 | 52 | 0.61 | 0.93 | 26 | empty |
| 3 | 176 | 0.45 | 0.75 | 26 | empty |
| 4 | 104 | 0.42 | 0.77 | 23 | empty |
| 5 | 88 | 0.41 | 0.78 | 25 | empty |
Compared structures
- 1SUO · Structure of mammalian cytochrome P450 2B4 with bound 4-(4-chlorophenyl)imidazole · the same entry in another collection · chain A against A, TM-score 1.00
- P00178 · AlphaFold monomer V2.0 prediction for cytochrome P450 2B4 (P00178) · a predicted model of the same protein · chain A 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 1SUO · PDBe 1SUO · UniProt P00178
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