MolNFT v1 · #95676 · protein
Crystal structure of human glucokinase in complex with a small molecule activator.
4IXC · Glucokinase isoform 3: “Crystal structure of human glucokinase in complex with a small molecule activator.”. X-ray diffraction, 3 ligands (1JD, GLC, NA), 2 pockets (best druggability 0.72). MolNFT v1 #95676 on GenesisL1: 3D…
- PDB
- 4IXC
- Type
- protein
- Length
- 443 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucokinase isoform 3
- EC
- 2.7.1.2
- UniProt
- P35557
- Ligands
- 1JD, GLC, NA
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucokinase isoform 3 (EC 2.7.1.2) | protein | 443 | 46% helix, 22% strand | P35557 |
Ligands and binding sites
- 1JD · (2S)-2-{[1-(3-chloropyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide · ligand · chains A
- GLC · alpha-D-glucopyranose · sugar · chains A
- NA · Sodium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 279 | 0.72 | 0.85 | 28 | 1JD |
| 2 | 468 | 0.66 | 0.78 | 61 | GLC |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4IXC · Crystal structure of Human Glucokinase in complex with a small molecule activator. · the same entry in another collection · chain A against A, TM-score 1.00
- P35557 · AlphaFold monomer V2.0 prediction for hexokinase-4 (P35557) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P35557
- Elsewhere: RCSB PDB 4IXC · PDBe 4IXC · UniProt P35557
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