MolNFT v1 · #12670 · protein
Crystal structure of gluconate kinase
1KO1: “Crystal structure of gluconate kinase”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.69). MolNFT v1 #12670 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1KO1
- Type
- protein
- Length
- 327 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gluconate kinase
- EC
- 2.7.1.12
- UniProt
- P46859
- Ligands
- CL
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gluconate kinase (EC 2.7.1.12) | protein | 163 | 50% helix, 17% strand | P46859 |
| B | Gluconate kinase (EC 2.7.1.12) | protein | 164 | 51% helix, 16% strand | P46859 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 556 | 0.69 | 0.79 | 58 | CL |
| 2 | 284 | 0.60 | 0.79 | 36 | CL |
| 3 | 139 | 0.43 | 0.75 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 980 Ų buried · 7 hydrogen bonds · protein-protein
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 P46859
- Elsewhere: RCSB PDB 1KO1 · PDBe 1KO1 · UniProt P46859
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