MolNFT v1 · #187133 · protein
Crystal structure of trypanosoma cruzi glucokinase in the apo form (open conformation)
7S2H · Glucokinase 1, putative: “Crystal structure of trypanosoma cruzi glucokinase in the apo form (open conformation)”. X-ray diffraction, 2 ligands (NA, SO4), 4 pockets (best druggability 0.76). MolNFT v1 #187133 on GenesisL1: 3D…
- PDB
- 7S2H
- Type
- protein
- Length
- 737 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
- NA, SO4
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucokinase 1, putative (EC 2.7.1.2) | protein | 369 | 43% helix, 24% strand | Q4E4E1 |
| B | Glucokinase 1, putative (EC 2.7.1.2) | protein | 368 | 43% helix, 24% strand | Q4E4E1 |
Ligands and binding sites
- NA · Sodium ion · metal · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- FLC · Citrate anion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1030 | 0.76 | 0.78 | 96 | empty |
| 2 | 53 | 0.73 | 0.99 | 23 | empty |
| 3 | 728 | 0.71 | 0.78 | 74 | SO4 |
| 4 | 50 | 0.42 | 0.83 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1809 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 7S2H · Crystal structure of Trypanosoma cruzi glucokinase in the apo form (open conformation) · 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 7S2H · PDBe 7S2H · UniProt Q4E4E1
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