MolNFT v1 · #81198 · protein
Crystal structure of substrate-bound glucose-6-phosphate isomerase from toxoplasma gondii
3UJH: “Crystal structure of substrate-bound glucose-6-phosphate isomerase from toxoplasma gondii”. X-ray diffraction, 2 ligands (G6Q, CL), 9 pockets (best druggability 0.76). MolNFT v1 #81198 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3UJH
- Type
- protein
- Length
- 1,124 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucose-6-phosphate isomerase
- EC
- 5.3.1.9
- UniProt
- B6KMQ4
- Ligands
- G6Q, CL
- Pockets
- 9 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucose-6-phosphate isomerase (EC 5.3.1.9) | protein | 566 | 54% helix, 11% strand | B6KMQ4 |
| B | Glucose-6-phosphate isomerase (EC 5.3.1.9) | protein | 558 | 54% helix, 10% strand | B6KMQ4 |
Ligands and binding sites
- G6Q · Glucose-6-phosphate · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1168 | 0.76 | 0.78 | 66 | empty |
| 2 | 334 | 0.71 | 0.84 | 54 | G6Q |
| 3 | 301 | 0.69 | 0.84 | 45 | G6Q |
| 4 | 106 | 0.53 | 0.83 | 26 | empty |
| 5 | 174 | 0.44 | 0.74 | 35 | empty |
Interfaces
1 interface between chains.
- A–B · 6616 Ų buried · 83 hydrogen bonds · protein-protein
Compared structures
- 3UJH · Crystal structure of substrate-bound Glucose-6-phosphate isomerase from Toxoplasma gondii · 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 B6KMQ4
- Elsewhere: RCSB PDB 3UJH · PDBe 3UJH · UniProt B6KMQ4
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