Research workbench
Structural characterization of CYP144A1, a mycobacterium tuberculosis cytochrome P450
Analyse Structural characterization of CYP144A1, a mycobacterium tuberculosis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5HDI
- Type
- protein
- Length
- 790 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 144
- EC
- 1.14.-.-
- UniProt
- P9WPL1
- Ligands
- HEM
- Pockets
- 11 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 144 (EC 1.14.-.-) | protein | 397 | 52% helix, 13% strand | P9WPL1 |
| B | Cytochrome P450 144 (EC 1.14.-.-) | protein | 393 | 53% helix, 13% strand | P9WPL1 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 691 | 0.84 | 0.87 | 73 | HEM |
| 2 | 722 | 0.84 | 0.87 | 65 | HEM |
| 3 | 522 | 0.77 | 0.84 | 62 | empty |
| 4 | 139 | 0.49 | 0.79 | 23 | empty |
| 5 | 98 | 0.46 | 0.80 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 834 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5HDI · Structural characterization of CYP144A1, a Mycobacterium tuberculosis cytochrome P450 · the same entry in another collection · chain A against A, TM-score 1.00
- P9WPL1 · AlphaFold monomer V2.0 prediction for cytochrome P450 144 (P9WPL1) · a predicted model of the same protein · 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 P9WPL1
- Elsewhere: RCSB PDB 5HDI · PDBe 5HDI · UniProt P9WPL1
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