MolNFT v1 · #57547 · protein
Crystal structure of probable thiosulfate sulfurtransferase CYSA3 (RV3117) from mycobacterium tuberculosis: orthorhombic form
3AAY · Putative thiosulfate sulfurtransferase: “Crystal structure of probable thiosulfate sulfurtransferase CYSA3 (RV3117) from mycobacterium tuberculosis…”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.54). MolNFT v1…
- PDB
- 3AAY
- Type
- protein
- Length
- 549 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative thiosulfate sulfurtransferase
- EC
- 2.8.1.1
- UniProt
- O05793
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.54
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative thiosulfate sulfurtransferase (EC 2.8.1.1) | protein | 272 | 35% helix, 17% strand | O05793 |
| B | Putative thiosulfate sulfurtransferase (EC 2.8.1.1) | protein | 277 | 35% helix, 17% strand | O05793 |
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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 143 | 0.54 | 0.81 | 22 | GOL |
| 2 | 169 | 0.51 | 0.78 | 29 | GOL |
Interfaces
1 interface between chains.
- A–B · 1338 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 3AAY · Crystal structure of probable thiosulfate sulfurtransferase CYSA3 (RV3117) from… · 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 O05793
- Elsewhere: RCSB PDB 3AAY · PDBe 3AAY · UniProt O05793
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