Research workbench
X-ray structure of the substrate-free mycobacterium tuberculosis cytochrome P450 CYP125
Analyse X-ray structure of the substrate-free mycobacterium tuberculosis cytochrome… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2XN8
- Type
- protein
- Length
- 409 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative cytochrome P450 125
- EC
- 1.14.-.-
- UniProt
- P63709
- Ligands
- HEM, SO4
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative cytochrome P450 125 (EC 1.14.-.-) | protein | 409 | 49% helix, 11% strand | P63709 |
Ligands and binding sites
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 | 799 | 0.83 | 0.85 | 75 | HEM |
| 2 | 120 | 0.48 | 0.79 | 21 | empty |
| 3 | 100 | 0.43 | 0.77 | 19 | empty |
Compared structures
- 2XN8 · X-ray structure of the substrate-free mycobacterium tuberculosis cytochrome P450 CYP125 · 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 P63709
- Elsewhere: RCSB PDB 2XN8 · PDBe 2XN8 · UniProt P63709
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