Research workbench
Crystal structure of human cytochrome P450 21A2 progesterone complex
Analyse Crystal structure of human cytochrome P450 21A2 progesterone complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4Y8W
- Type
- protein
- Length
- 1,322 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 21-hydroxylase
- UniProt
- Q16874
- Ligands
- HEM, STR, SO4
- Pockets
- 16 · best druggability 0.87
Structure
x-ray diffraction · 3 distinct chains · 52% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 21-hydroxylase | protein | 440 | 52% helix, 9% strand | Q16874 |
| B | Cytochrome P450 21-hydroxylase | protein | 440 | 50% helix, 10% strand | Q16874 |
| C | Cytochrome P450 21-hydroxylase | protein | 442 | 53% helix, 10% strand | Q16874 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 3 copies · chains A, B, C
- STR · Progesterone · ligand · 3 copies · chains A, B, C
- SO4 · Sulfate ion · ion · 4 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 527 | 0.87 | 0.93 | 55 | HEM, STR |
| 2 | 523 | 0.87 | 0.93 | 56 | HEM, STR |
| 3 | 503 | 0.86 | 0.92 | 53 | HEM, STR |
| 4 | 941 | 0.84 | 0.85 | 75 | empty |
| 5 | 1142 | 0.84 | 0.85 | 101 | empty |
Interfaces
3 interfaces between chains.
- B–C · 795 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 664 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 533 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4Y8W · Crystal Structure of Human Cytochrome P450 21A2 Progesterone Complex · 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 Q16874
- Elsewhere: RCSB PDB 4Y8W · PDBe 4Y8W · UniProt Q16874
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.