MolNFT v1 · #22226 · protein
Crystal structure of E. COLI glucokinase in complex with glucose
1SZ2: “Crystal structure of E. COLI glucokinase in complex with glucose”. X-ray diffraction, 1 ligand (BGC), 8 pockets (best druggability 0.82). MolNFT v1 #22226 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1SZ2
- Type
- protein
- Length
- 639 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucokinase
- EC
- 2.7.1.2
- UniProt
- P0A6V8
- Ligands
- BGC
- Pockets
- 8 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucokinase (EC 2.7.1.2) | protein | 319 | 44% helix, 24% strand | P0A6V8 |
| B | Glucokinase (EC 2.7.1.2) | protein | 320 | 44% helix, 24% strand | P0A6V8 |
Ligands and binding sites
- 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 149 | 0.82 | 0.98 | 25 | empty |
| 2 | 494 | 0.69 | 0.79 | 58 | BGC |
| 3 | 475 | 0.67 | 0.79 | 58 | BGC |
| 4 | 342 | 0.59 | 0.77 | 36 | empty |
| 5 | 377 | 0.59 | 0.76 | 36 | empty |
Interfaces
1 interface between chains.
- A–B · 1788 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
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 P0A6V8
- Elsewhere: RCSB PDB 1SZ2 · PDBe 1SZ2 · UniProt P0A6V8
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