MolNFT v1 · #105635 · protein
Crystal structure of insulin degrading enzyme in complex with macrophage inflammatory protein 1 beta
4RAL · Insulin-degrading enzyme: “Crystal structure of insulin degrading enzyme in complex with macrophage inflammatory protein 1 beta”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.80). MolNFT v1 #105635 on GenesisL1…
- PDB
- 4RAL
- Type
- protein
- Length
- 1,928 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Insulin-degrading enzyme; C-C motif chemokine 4
- EC
- 3.4.24.56
- UniProt
- P14735, P13236
- Ligands
- ZN
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Insulin-degrading enzyme (EC 3.4.24.56) | protein | 954 | 42% helix, 20% strand | P14735 |
| B | Insulin-degrading enzyme (EC 3.4.24.56) | protein | 953 | 42% helix, 20% strand | P14735 |
| D | C-C motif chemokine 4 | protein | 11 | 0% helix, 18% strand | P13236 |
| E | C-C motif chemokine 4 | protein | 10 | 0% helix, 20% strand | P13236 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, D, B, E
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 | 730 | 0.80 | 0.83 | 88 | empty |
| 2 | 949 | 0.78 | 0.80 | 100 | empty |
| 3 | 1053 | 0.78 | 0.80 | 91 | empty |
| 4 | 459 | 0.72 | 0.82 | 45 | empty |
| 5 | 746 | 0.71 | 0.78 | 84 | empty |
Interfaces
3 interfaces between chains.
- A–D · 974 Ų buried · 20 hydrogen bonds · protein-protein
- B–E · 906 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 857 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 4RAL · Crystal structure of insulin degrading enzyme in complex with macrophage inflammatory… · the same entry in another collection · chain A against A, TM-score 1.00
- P13236 · AlphaFold monomer V2.0 prediction for C-C motif chemokine 4 (P13236) · a predicted model of the same protein · chain D against A, TM-score 0.44
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
- Every structure of UniProt P13236
- Elsewhere: RCSB PDB 4RAL · PDBe 4RAL · UniProt P14735 · UniProt P13236
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