MolNFT v1 · #37525 · protein
Crystal structure of human insulin-degrading enzyme in complex with glucagon
2G49: “Crystal structure of human insulin-degrading enzyme in complex with glucagon”. X-ray diffraction, 20 pockets (best druggability 0.85). MolNFT v1 #37525 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2G49
- Type
- protein
- Length
- 1,956 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Insulin-degrading enzyme; Glucagon preproprotein
- EC
- 3.4.24.56
- UniProt
- Q5T5N2
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 43% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Insulin-degrading enzyme (EC 3.4.24.56) | protein | 970 | 43% helix, 20% strand | Q5T5N2 |
| B | Insulin-degrading enzyme (EC 3.4.24.56) | protein | 966 | 44% helix, 21% strand | Q5T5N2 |
| C | Glucagon preproprotein | protein | 11 | 0% helix, 27% strand | — |
| D | Glucagon preproprotein | protein | 9 | 0% helix, 33% strand | — |
Ligands and binding sites
- DIO · 1,4-diethylene dioxide · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 928 | 0.85 | 0.87 | 99 | empty |
| 2 | 1190 | 0.78 | 0.79 | 117 | DIO |
| 3 | 1118 | 0.76 | 0.78 | 106 | DIO |
| 4 | 295 | 0.71 | 0.84 | 35 | empty |
| 5 | 377 | 0.70 | 0.82 | 38 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1540 Ų buried · 20 hydrogen bonds · protein-protein
- A–C · 1009 Ų buried · 27 hydrogen bonds · protein-protein
- B–D · 942 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 2G49 · Crystal structure of human insulin-degrading enzyme in complex with glucagon · the same entry in another collection · chain A 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 Q5T5N2
- Elsewhere: RCSB PDB 2G49 · PDBe 2G49 · UniProt Q5T5N2
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