Research workbench
Crystal structure of putative 2-phosphosulfolactate phosphatase (15026306) from clostridium acetobutylicum at 2.6 a resolution
Analyse Crystal structure of putative 2-phosphosulfolactate phosphatase (15026306) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1VR0
- Type
- protein
- Length
- 708 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable 2-phosphosulfolactate phosphatase
- EC
- 3.1.3.71
- UniProt
- Q97E82
- Ligands
- 3SL, MG
- Pockets
- 3 · best druggability 0.57
Structure
x-ray diffraction · 3 distinct chains · 43% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable 2-phosphosulfolactate phosphatase (EC 3.1.3.71) | protein | 236 | 43% helix, 20% strand | Q97E82 |
| B | Probable 2-phosphosulfolactate phosphatase (EC 3.1.3.71) | protein | 235 | 43% helix, 19% strand | Q97E82 |
| C | Probable 2-phosphosulfolactate phosphatase (EC 3.1.3.71) | protein | 237 | 43% helix, 20% strand | Q97E82 |
Ligands and binding sites
- 3SL · (2R)-3-sulfolactic acid · ligand · 3 copies · chains A, B, C
- MG · Magnesium ion · metal · 2 copies · chains A, 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 146 | 0.57 | 0.82 | 40 | 3SL |
| 2 | 158 | 0.53 | 0.80 | 31 | 3SL |
| 3 | 221 | 0.44 | 0.72 | 32 | empty |
Interfaces
2 interfaces between chains.
- B–C · 1008 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 128 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 21 modified (engineered).
Compared structures
- 1VR0 · Crystal structure of putative 2-phosphosulfolactate phosphatase (15026306) from… · the same entry in another collection · chain A against A, TM-score 1.00
- Q97E82 · AlphaFold monomer V2.0 prediction for probable 2-phosphosulfolactate phosphatase (Q97E82) · a predicted model of the same protein · chain B 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 Q97E82
- Elsewhere: RCSB PDB 1VR0 · PDBe 1VR0 · UniProt Q97E82
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