Research workbench
Structure of ahpd from mycobacterium tuberculosis, a novel enzyme with thioredoxin-like activity.
Analyse Structure of ahpd from mycobacterium tuberculosis, a novel enzyme with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1KNC
- Type
- protein
- Length
- 521 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ahpd protein
- UniProt
- P0A5N4
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Ahpd protein | protein | 174 | 75% helix, 0% strand | P0A5N4 |
| C | Ahpd protein | protein | 173 | 74% helix, 0% strand | P0A5N4 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 17 copies · chains A, C, B
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 | 830 | 0.81 | 0.84 | 85 | SO4 |
Interfaces
3 interfaces between chains.
- A–B · 1496 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 1486 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 1481 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 1KNC · Structure of AhpD from Mycobacterium tuberculosis, a novel enzyme with thioredoxin-like… · 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 P0A5N4
- Elsewhere: RCSB PDB 1KNC · PDBe 1KNC · UniProt P0A5N4
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