Research workbench
Crystal structure of bovine steroid of 21-hydroxylase (P450C21)
Analyse Crystal structure of bovine steroid of 21-hydroxylase (P450C21) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QZ1
- Type
- protein
- Length
- 1,752 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Steroid 21-hydroxylase
- EC
- 1.14.99.10
- UniProt
- P00191
- Ligands
- 3QZ, HEM
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 4 distinct chains · 46% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Steroid 21-hydroxylase (EC 1.14.99.10) | protein | 445 | 45% helix, 4% strand | P00191 |
| B | Steroid 21-hydroxylase (EC 1.14.99.10) | protein | 436 | 46% helix, 5% strand | P00191 |
| C | Steroid 21-hydroxylase (EC 1.14.99.10) | protein | 437 | 46% helix, 5% strand | P00191 |
| D | Steroid 21-hydroxylase (EC 1.14.99.10) | protein | 434 | 47% helix, 4% strand | P00191 |
Ligands and binding sites
- 3QZ · (9beta)-17-hydroxypregn-4-ene-3,20-dione · ligand · 8 copies · chains A, B, C, D
- HEM · Protoporphyrin IX containing Fe · 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, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1175 | 0.87 | 0.88 | 96 | HEM, 3QZ |
| 2 | 1178 | 0.87 | 0.88 | 87 | HEM, 3QZ |
| 3 | 1162 | 0.87 | 0.88 | 86 | HEM, 3QZ |
| 4 | 1134 | 0.87 | 0.88 | 86 | HEM, 3QZ |
| 5 | 742 | 0.76 | 0.81 | 62 | empty |
Interfaces
4 interfaces between chains.
- A–B · 575 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 390 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 365 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 321 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
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 P00191
- Elsewhere: RCSB PDB 3QZ1 · PDBe 3QZ1 · UniProt P00191
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