MolNFT v1 · #27837 · protein
Crystal structure of thiol peroxidase from mycobacterium tuberculosis
1XVQ: “Crystal structure of thiol peroxidase from mycobacterium tuberculosis”. X-ray diffraction, 2 ligands (YT3, NH4), 2 pockets (best druggability 0.42). MolNFT v1 #27837 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1XVQ
- Type
- protein
- Length
- 160 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thiol peroxidase
- EC
- 1.11.1.-
- UniProt
- P66952
- Ligands
- YT3, NH4
- Pockets
- 2 · best druggability 0.42
Structure
x-ray diffraction · 1 distinct chain · 21% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thiol peroxidase (EC 1.11.1.-) | protein | 160 | 21% helix, 26% strand | P66952 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 137 | 0.42 | 0.75 | 27 | empty |
| 2 | 65 | 0.40 | 0.80 | 17 | empty |
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 1XVQ · Crystal structure of thiol peroxidase from Mycobacterium 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 P66952
- Elsewhere: RCSB PDB 1XVQ · PDBe 1XVQ · UniProt P66952
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