Research workbench
Trypanosoma cruzi glucokinase in complex with beta-D-glucose and ADP
Analyse Trypanosoma cruzi glucokinase in complex with beta-D-glucose and ADP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2Q2R
- Type
- protein
- Length
- 740 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucokinase 1, putative
- EC
- 2.7.1.2
- UniProt
- Q4E4E1
- Ligands
- ADP, BGC
- Pockets
- 8 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glucokinase 1, putative (EC 2.7.1.2) | protein | 370 | 42% helix, 24% strand | Q4E4E1 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 559 | 0.73 | 0.81 | 66 | BGC |
| 2 | 545 | 0.72 | 0.81 | 69 | BGC, ADP |
| 3 | 320 | 0.65 | 0.80 | 46 | empty |
| 4 | 335 | 0.64 | 0.80 | 44 | empty |
| 5 | 84 | 0.44 | 0.80 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1948 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 2Q2R · Trypanosoma cruzi glucokinase in complex with beta-D-glucose and ADP · 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 Q4E4E1
- Elsewhere: RCSB PDB 2Q2R · PDBe 2Q2R · UniProt Q4E4E1
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