Research workbench
The crystal structures of 4-methoxybenzoate bound CYP199A2
Analyse The crystal structures of 4-methoxybenzoate bound CYP199A2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4DNJ
- Type
- protein
- Length
- 399 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative cytochrome P450
- EC
- 1.14.-.-
- UniProt
- Q6N8N2
- Ligands
- HEM, ANN, CL
- Pockets
- 3 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative cytochrome P450 (EC 1.14.-.-) | protein | 399 | 48% helix, 14% strand | Q6N8N2 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- ANN · 4-methoxybenzoic acid · ligand · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 336 | 0.85 | 0.94 | 44 | HEM, ANN |
| 2 | 89 | 0.36 | 0.75 | 18 | empty |
| 3 | 67 | 0.33 | 0.76 | 13 | empty |
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 Q6N8N2
- Elsewhere: RCSB PDB 4DNJ · PDBe 4DNJ · UniProt Q6N8N2
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