Research workbench
RV0554 from mycobacterium tuberculosis - the structure solved from the tetragonal crystal form
Analyse RV0554 from mycobacterium tuberculosis - the structure solved from the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3HZO
- Type
- protein
- Length
- 536 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein RV0554, putative bromoperoxidase
- EC
- 1.11.1.-
- UniProt
- O06420
- Ligands
- NA
- Pockets
- 3 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein RV0554, putative bromoperoxidase (EC 1.11.1.-) | protein | 275 | 46% helix, 19% strand | O06420 |
| B | Protein RV0554, putative bromoperoxidase (EC 1.11.1.-) | protein | 261 | 47% helix, 15% strand | O06420 |
Ligands and binding sites
- NA · Sodium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
- MLA · Malonic acid · additive · chains B
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 | 774 | 0.85 | 0.88 | 74 | MLA |
| 2 | 746 | 0.83 | 0.86 | 64 | empty |
| 3 | 138 | 0.62 | 0.85 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1642 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 3HZO · Rv0554 from Mycobacterium tuberculosis - the structure solved from the tetragonal crystal… · 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 O06420
- Elsewhere: RCSB PDB 3HZO · PDBe 3HZO · UniProt O06420
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