MolNFT v1 · #60650 · protein
Crystal structure of the cytochrome P450 CYP121 S279A mutant from M. tuberculosis
3CY1 · Cytochrome P450 121: “Crystal structure of the cytochrome P450 CYP121 S279A mutant from M. tuberculosis”. X-ray diffraction, 2 ligands (HEM, SO4), 3 pockets (best druggability 0.87). MolNFT v1 #60650 on GenesisL1: 3D structure…
- PDB
- 3CY1
- Type
- protein
- Length
- 394 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 121
- EC
- 1.14.-.-
- UniProt
- P0A514
- Ligands
- HEM, SO4
- Pockets
- 3 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 121 (EC 1.14.-.-) | protein | 394 | 51% helix, 10% strand | P0A514 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- SO4 · Sulfate ion · ion · 3 copies · 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 | 826 | 0.87 | 0.89 | 78 | HEM |
| 2 | 52 | 0.41 | 0.82 | 19 | empty |
| 3 | 59 | 0.40 | 0.81 | 18 | empty |
Compared structures
- 3CY1 · Crystal structure of the cytochrome P450 CYP121 S279A mutant from M. tuberculosis · 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 P0A514
- Elsewhere: RCSB PDB 3CY1 · PDBe 3CY1 · UniProt P0A514
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