Research workbench
Zebra fish cytochrome P450 17A2 with progesterone
Analyse Zebra fish cytochrome P450 17A2 with progesterone in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4R21
- Type
- protein
- Length
- 845 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 family 17 polypeptide 2
- UniProt
- A7U483
- Ligands
- HEM, STR
- Pockets
- 6 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 family 17 polypeptide 2 | protein | 422 | 55% helix, 9% strand | A7U483 |
| B | Cytochrome P450 family 17 polypeptide 2 | protein | 423 | 51% helix, 9% strand | A7U483 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- STR · Progesterone · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1109 | 0.85 | 0.86 | 107 | HEM, STR |
| 2 | 905 | 0.83 | 0.85 | 86 | HEM, STR |
| 3 | 182 | 0.56 | 0.80 | 26 | empty |
| 4 | 60 | 0.48 | 0.85 | 17 | empty |
| 5 | 155 | 0.42 | 0.74 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 547 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4R21 · Zebra fish cytochrome P450 17A2 with Progesterone · 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 A7U483
- Elsewhere: RCSB PDB 4R21 · PDBe 4R21 · UniProt A7U483
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