Research workbench
Structure of the salmonella enterica N-acetylmannosamine-6-phosphate 2-epimerase
Analyse Structure of the salmonella enterica N-acetylmannosamine-6-phosphate 2-epimerase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3IGS
- Type
- protein
- Length
- 462 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-acetylmannosamine-6-phosphate 2-epimerase 2
- EC
- 5.1.3.9
- UniProt
- Q8ZLQ7
- Ligands
- 16G, SO4, CL
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-acetylmannosamine-6-phosphate 2-epimerase 2 (EC 5.1.3.9) | protein | 230 | 43% helix, 16% strand | Q8ZLQ7 |
| B | N-acetylmannosamine-6-phosphate 2-epimerase 2 (EC 5.1.3.9) | protein | 232 | 42% helix, 16% strand | Q8ZLQ7 |
Ligands and binding sites
- 16G · 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose · ligand · chains A
- SO4 · Sulfate ion · ion · 14 copies · chains A, B
- CL · Chloride ion · ion · 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 | 279 | 0.63 | 0.81 | 36 | SO4, CL |
| 2 | 240 | 0.61 | 0.81 | 28 | 16G, SO4, CL |
| 3 | 107 | 0.47 | 0.79 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1735 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 3IGS · Structure of the Salmonella enterica N-acetylmannosamine-6-phosphate 2-epimerase · the same entry in another collection · chain A against A, TM-score 1.00
- Q8ZLQ7 · AlphaFold monomer V2.0 prediction for putative N-acetylmannosamine-6-phosphate… · a predicted model of the same protein · chain A 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 Q8ZLQ7
- Elsewhere: RCSB PDB 3IGS · PDBe 3IGS · UniProt Q8ZLQ7
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