MolNFT v1 · #98647 · protein
Crystal structure of D-galactose-6-phosphate isomerase in complex with D-tagatose-6-phosphate
4LFL · Galactose-6-phosphate isomerase subunit a: “Crystal structure of D-galactose-6-phosphate isomerase in complex with D-tagatose-6-phosphate”. X-ray diffraction, 1 ligand (TG6), 8 pockets (best druggability 0.74). MolNFT v1 #98647 on…
- PDB
- 4LFL
- Type
- protein
- Length
- 628 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Galactose-6-phosphate isomerase subunit a; Galactose-6-phosphate isomerase subunit B
- EC
- 5.3.1.26
- UniProt
- C7TGZ6, C7TGZ5
- Ligands
- TG6
- Pockets
- 8 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Galactose-6-phosphate isomerase subunit a (EC 5.3.1.26) | protein | 142 | 49% helix, 18% strand | C7TGZ6 |
| B, D | Galactose-6-phosphate isomerase subunit B (EC 5.3.1.26) | protein | 172 | 47% helix, 15% strand | C7TGZ5 |
Ligands and binding sites
- TG6 · 6-O-phosphono-D-tagatose · ligand · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 58 | 0.74 | 0.99 | 16 | empty |
| 2 | 123 | 0.63 | 0.88 | 23 | TG6 |
| 3 | 115 | 0.61 | 0.87 | 22 | TG6 |
| 4 | 174 | 0.47 | 0.76 | 29 | empty |
| 5 | 128 | 0.40 | 0.74 | 25 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2059 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 2041 Ų buried · 22 hydrogen bonds · protein-protein
- A–C · 422 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 323 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 320 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4LFL · Crystal Structure of D-galactose-6-phosphate isomerase in complex with… · 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 C7TGZ6
- Every structure of UniProt C7TGZ5
- Elsewhere: RCSB PDB 4LFL · PDBe 4LFL · UniProt C7TGZ6 · UniProt C7TGZ5
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