MolNFT v1 · #117625 · protein
Crystal structure of mycobacterium tuberculosis CYP121 in complex with LIG9
5EDT · Cytochrome P450 121: “Crystal structure of mycobacterium tuberculosis CYP121 in complex with LIG9”. X-ray diffraction, 3 ligands (HEM, 5MK, SO4), 1 pocket (best druggability 0.87). MolNFT v1 #117625 on GenesisL1: 3D structure…
- PDB
- 5EDT
- 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
- P0A515
- Ligands
- HEM, 5MK, SO4
- Pockets
- 1 · 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 | P0A515 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- 5MK · 2-azanyl-5-chloranyl-benzamide · ligand · chains A
- SO4 · Sulfate ion · ion · 10 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 872 | 0.87 | 0.89 | 85 | HEM, 5MK, SO4 |
Compared structures
- 5EDT · Crystal structure of Mycobacterium tuberculosis CYP121 in complex with LIG9 · the same entry in another collection · chain A against A, TM-score 1.00
- P0A515 · AlphaFold monomer V2.0 prediction for cytochrome P450 121 (P0A515) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P0A515
- Elsewhere: RCSB PDB 5EDT · PDBe 5EDT · UniProt P0A515
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