MolNFT v1 · #80797 · protein
Crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta
3U7U · Receptor tyrosine-protein kinase erbb-4: “Crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with…”. X-ray diffraction, 1 ligand (NAG), 20 pockets (best druggability 0.80). MolNFT v1…
- PDB
- 3U7U
- Type
- protein
- Length
- 3,835 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Receptor tyrosine-protein kinase erbb-4; Neuregulin 1
- EC
- 2.7.10.1
- UniProt
- Q15303, Q96IB3
- Ligands
- NAG
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 9 distinct chains · 11% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Receptor tyrosine-protein kinase erbb-4 (EC 2.7.10.1) | protein | 550 | 13% helix, 28% strand | Q15303 |
| B | Receptor tyrosine-protein kinase erbb-4 (EC 2.7.10.1) | protein | 601 | 11% helix, 29% strand | Q15303 |
| C | Receptor tyrosine-protein kinase erbb-4 (EC 2.7.10.1) | protein | 598 | 11% helix, 28% strand | Q15303 |
| D | Receptor tyrosine-protein kinase erbb-4 (EC 2.7.10.1) | protein | 600 | 12% helix, 28% strand | Q15303 |
| E | Receptor tyrosine-protein kinase erbb-4 (EC 2.7.10.1) | protein | 593 | 11% helix, 28% strand | Q15303 |
| F | Receptor tyrosine-protein kinase erbb-4 (EC 2.7.10.1) | protein | 591 | 12% helix, 28% strand | Q15303 |
| G, I | Neuregulin 1 | protein | 50 | 0% helix, 34% strand | Q96IB3 |
| H, J, L | Neuregulin 1 | protein | 51 | 0% helix, 35% strand | Q96IB3 |
| K | Neuregulin 1 | protein | 49 | 0% helix, 37% strand | Q96IB3 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 26 copies · chains A, F, D, B, C, 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, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 812 | 0.80 | 0.83 | 91 | empty |
| 2 | 906 | 0.79 | 0.81 | 101 | NAG |
| 3 | 919 | 0.78 | 0.81 | 89 | empty |
| 4 | 356 | 0.77 | 0.88 | 46 | empty |
| 5 | 747 | 0.77 | 0.82 | 102 | NAG |
Interfaces
20 interfaces between chains.
- D–J · 1781 Ų buried · 30 hydrogen bonds · protein-protein
- F–L · 1773 Ų buried · 29 hydrogen bonds · protein-protein
- B–H · 1769 Ų buried · 29 hydrogen bonds · protein-protein
- C–I · 1740 Ų buried · 29 hydrogen bonds · protein-protein
- A–G · 1713 Ų buried · 27 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 164 disulfide, 26 glycan (disulfide, N-glycosylation).
Compared structures
- 3U7U · Crystal structure of extracellular region of human epidermal growth factor receptor 4 in… · the same entry in another collection · chain L against L, 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 Q15303
- Every structure of UniProt Q96IB3
- Elsewhere: RCSB PDB 3U7U · PDBe 3U7U · UniProt Q15303 · UniProt Q96IB3
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