MolNFT v1 · #53156 · protein
X-ray structure of the substrate-free mycobacterium tuberculosis cytochrome P450 CYP124
2WM5 · Putative cytochrome P450 124: “X-ray structure of the substrate-free mycobacterium tuberculosis cytochrome P450 CYP124”. X-ray diffraction, 1 ligand (HEM), 3 pockets (best druggability 0.85). MolNFT v1 #53156 on GenesisL1: 3D…
- PDB
- 2WM5
- Type
- protein
- Length
- 425 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative cytochrome P450 124
- EC
- 1.14.-.-
- UniProt
- P0A516
- Ligands
- HEM
- Pockets
- 3 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative cytochrome P450 124 (EC 1.14.-.-) | protein | 425 | 52% helix, 10% strand | P0A516 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1001 | 0.85 | 0.85 | 87 | HEM |
| 2 | 132 | 0.72 | 0.92 | 30 | empty |
| 3 | 137 | 0.51 | 0.80 | 23 | empty |
Compared structures
- 2WM5 · X-ray structure of the substrate-free Mycobacterium tuberculosis cytochrome P450 CYP124 · 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 P0A516
- Elsewhere: RCSB PDB 2WM5 · PDBe 2WM5 · UniProt P0A516
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