Research workbench
Sulfatase from mycobacterium tuberculosis
Analyse Sulfatase from mycobacterium tuberculosis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FFA
- Type
- protein
- Length
- 946 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RV3406 alkyl sulfatase
- UniProt
- P65075
- Ligands
- NO3
- Pockets
- 13 · best druggability 0.88
Structure
x-ray diffraction · 4 distinct chains · 23% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | RV3406 alkyl sulfatase | protein | 242 | 23% helix, 31% strand | P65075 |
| B | RV3406 alkyl sulfatase | protein | 240 | 23% helix, 31% strand | P65075 |
| C | RV3406 alkyl sulfatase | protein | 234 | 23% helix, 30% strand | P65075 |
| D | RV3406 alkyl sulfatase | protein | 230 | 23% helix, 30% strand | P65075 |
Ligands and binding sites
- NO3 · Nitrate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1063 | 0.88 | 0.89 | 80 | empty |
| 2 | 309 | 0.62 | 0.79 | 43 | empty |
| 3 | 298 | 0.61 | 0.79 | 41 | empty |
| 4 | 89 | 0.51 | 0.83 | 16 | empty |
| 5 | 84 | 0.49 | 0.83 | 17 | empty |
Interfaces
6 interfaces between chains.
- C–D · 947 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 939 Ų buried · 20 hydrogen bonds · protein-protein
- B–D · 843 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 816 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 231 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4FFA · Sulfatase 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 P65075
- Elsewhere: RCSB PDB 4FFA · PDBe 4FFA · UniProt P65075
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