MolNFT v1 · #136822 · protein
Human glucokinase in complex with novel indazole activator.
5V4W: “Human glucokinase in complex with novel indazole activator.”. X-ray diffraction, 3 ligands (8WM, GLC, IOD), 4 pockets (best druggability 0.64). MolNFT v1 #136822 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5V4W
- Type
- protein
- Length
- 419 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucokinase
- EC
- 2.7.1.2
- UniProt
- P35557
- Ligands
- 8WM, GLC, IOD
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucokinase (EC 2.7.1.2) | protein | 419 | 48% helix, 18% strand | P35557 |
Ligands and binding sites
- 8WM · (2S)-2-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide · ligand · chains A
- GLC · alpha-D-glucopyranose · sugar · chains A
- IOD · Iodide ion · ion · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 225 | 0.64 | 0.82 | 25 | 8WM |
| 2 | 110 | 0.46 | 0.79 | 27 | empty |
| 3 | 59 | 0.31 | 0.76 | 18 | empty |
| 4 | 80 | 0.31 | 0.73 | 13 | empty |
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 P35557
- Elsewhere: RCSB PDB 5V4W · PDBe 5V4W · UniProt P35557
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