Research workbench
Crystal structure of human insulin degrading enzyme (ide) in complex with compund 41367
Analyse Crystal structure of human insulin degrading enzyme (ide) in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4DTT
- Type
- protein
- Length
- 1,910 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Insulin-degrading enzyme
- EC
- 3.4.24.56
- UniProt
- P14735
- Ligands
- I41, ZN
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Insulin-degrading enzyme (EC 3.4.24.56) | protein | 956 | 44% helix, 21% strand | P14735 |
| B | Insulin-degrading enzyme (EC 3.4.24.56) | protein | 954 | 44% helix, 20% strand | P14735 |
Ligands and binding sites
- I41 · 2-[[2-[[(2S)-3-(3H-imidazol-4-yl)-1-methoxy-1-oxo-propan-2-yl]amino]-2-oxo-ethyl]-(phenylmethyl)amino]ethanoic acid · ligand · 4 copies · chains A, B
- ZN · Zinc ion · metal · 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, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 901 | 0.85 | 0.87 | 93 | empty |
| 2 | 984 | 0.77 | 0.79 | 120 | I41 |
| 3 | 801 | 0.77 | 0.81 | 110 | I41 |
| 4 | 638 | 0.70 | 0.78 | 82 | empty |
| 5 | 413 | 0.61 | 0.77 | 59 | I41 |
Interfaces
1 interface between chains.
- A–B · 1565 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 4DTT · Crystal structure of human insulin degrading enzyme (ide) in complex with compund 41367 · 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 P14735
- Elsewhere: RCSB PDB 4DTT · PDBe 4DTT · UniProt P14735
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