MolNFT v1 · #12688 · protein
Crystal structure of rabbit phosphoglucose isomerase complexed with 5-phospho-D-arabinonohydroxamic acid
1KOJ · Glucose-6-phosphate isomerase: “Crystal structure of rabbit phosphoglucose isomerase complexed with 5-phospho-D-arabinonohydroxamic acid”. X-ray diffraction, 1 ligand (PAN), 11 pockets (best druggability 0.78). MolNFT v1 #12688 on…
- PDB
- 1KOJ
- Type
- protein
- Length
- 1,112 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucose-6-phosphate isomerase
- EC
- 5.3.1.9
- UniProt
- Q9N1E2
- Ligands
- PAN
- Pockets
- 11 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glucose-6-phosphate isomerase (EC 5.3.1.9) | protein | 556 | 52% helix, 13% strand | Q9N1E2 |
Ligands and binding sites
- PAN · 5-phospho-D-arabinohydroxamic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1076 | 0.78 | 0.80 | 66 | empty |
| 2 | 247 | 0.72 | 0.87 | 50 | PAN |
| 3 | 156 | 0.69 | 0.89 | 35 | PAN |
| 4 | 105 | 0.44 | 0.78 | 17 | empty |
| 5 | 109 | 0.43 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 6538 Ų buried · 93 hydrogen bonds · protein-protein
Compared structures
- 1KOJ · Crystal structure of rabbit phosphoglucose isomerase complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9N1E2 · AlphaFold monomer V2.0 prediction for glucose-6-phosphate isomerase (Q9N1E2) · a predicted model of the same protein · chain B 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 Q9N1E2
- Elsewhere: RCSB PDB 1KOJ · PDBe 1KOJ · UniProt Q9N1E2
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