Research workbench
Crystal structure of lacc from enterococcus faecalis in complex with ATP
Analyse Crystal structure of lacc from enterococcus faecalis in complex with ATP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2F02
- Type
- protein
- Length
- 633 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tagatose-6-phosphate kinase
- EC
- 2.7.1.144
- UniProt
- Q833W9
- Ligands
- ATP
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tagatose-6-phosphate kinase (EC 2.7.1.144) | protein | 319 | 38% helix, 26% strand | Q833W9 |
| B | Tagatose-6-phosphate kinase (EC 2.7.1.144) | protein | 314 | 39% helix, 27% strand | Q833W9 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 695 | 0.70 | 0.77 | 79 | ATP |
| 2 | 602 | 0.69 | 0.78 | 71 | ATP |
| 3 | 137 | 0.42 | 0.75 | 17 | empty |
| 4 | 109 | 0.39 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1458 Ų buried · 27 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 2F02 · Crystal Structure of LacC from Enterococcus Faecalis in complex with ATP · the same entry in another collection · chain A against A, TM-score 1.00
- Q833W9 · AlphaFold monomer V2.0 prediction for tagatose-6-phosphate kinase (Q833W9) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q833W9
- Elsewhere: RCSB PDB 2F02 · PDBe 2F02 · UniProt Q833W9
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