Research workbench
Crystal structure of CYP119 from sulfolobus acidocaldarius, collected at 298K and complexed with 4-(4-bromophenyl)-1H imidazole
Analyse Crystal structure of CYP119 from sulfolobus acidocaldarius, collected at 298K… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4WQJ
- Type
- protein
- Length
- 367 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 119
- EC
- 1.14.-.-, 1.11.1.7
- UniProt
- Q55080
- Ligands
- HEM, 36Y
- Pockets
- 4 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 119 (EC 1.14.-.-, 1.11.1.7) | protein | 367 | 49% helix, 14% strand | Q55080 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- 36Y · 4-(4-bromophenyl)-1H-imidazole · ligand · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 651 | 0.86 | 0.90 | 59 | HEM, 36Y |
| 2 | 166 | 0.53 | 0.79 | 27 | empty |
| 3 | 96 | 0.38 | 0.76 | 21 | empty |
| 4 | 54 | 0.28 | 0.74 | 10 | empty |
Compared structures
- 4WQJ · Crystal Structure of CYP119 from Sulfolobus acidocaldarius, Collected at 298K and… · the same entry in another collection · chain A against A, TM-score 1.00
- Q55080 · AlphaFold monomer V2.0 prediction for cytochrome P450 119 (Q55080) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q55080
- Elsewhere: RCSB PDB 4WQJ · PDBe 4WQJ · UniProt Q55080
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