MolNFT v1 · #101315 · protein
Structural basis of PTPN18 fingerprint on distinct HER2 tyrosine phosphorylation sites
4NND · Tyrosine-protein phosphatase non-receptor type 18: “Structural basis of PTPN18 fingerprint on distinct HER2 tyrosine phosphorylation sites”. X-ray diffraction, 12 pockets (best druggability 0.72). MolNFT v1 #101315 on GenesisL1: 3D…
- PDB
- 4NND
- Type
- protein
- Length
- 1,147 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase non-receptor type 18; Receptor tyrosine-protein kinase erbb-2
- EC
- 3.1.3.48
- UniProt
- Q99952, P04626
- Pockets
- 12 · best druggability 0.72
Structure
x-ray diffraction · 6 distinct chains · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein phosphatase non-receptor type 18 (EC 3.1.3.48) | protein | 283 | 40% helix, 23% strand | Q99952 |
| F, C | Receptor tyrosine-protein kinase erbb-2 | protein | 6 | 0% helix, 0% strand | P04626 |
| B | Tyrosine-protein phosphatase non-receptor type 18 (EC 3.1.3.48) | protein | 283 | 40% helix, 23% strand | Q99952 |
| D | Tyrosine-protein phosphatase non-receptor type 18 (EC 3.1.3.48) | protein | 281 | 37% helix, 23% strand | Q99952 |
| E, H | Receptor tyrosine-protein kinase erbb-2 | protein | 5 | 0% helix, 0% strand | P04626 |
| G | Tyrosine-protein phosphatase non-receptor type 18 (EC 3.1.3.48) | protein | 278 | 38% helix, 23% strand | Q99952 |
Pockets
12 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 676 | 0.72 | 0.79 | 83 | empty |
| 2 | 394 | 0.69 | 0.81 | 55 | empty |
| 3 | 121 | 0.45 | 0.77 | 19 | empty |
| 4 | 126 | 0.44 | 0.77 | 18 | empty |
| 5 | 146 | 0.43 | 0.76 | 31 | empty |
Interfaces
8 interfaces between chains.
- B–G · 546 Ų buried · 7 hydrogen bonds · protein-protein
- A–F · 525 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 523 Ų buried · 17 hydrogen bonds · protein-protein
- G–H · 487 Ų buried · 17 hydrogen bonds · protein-protein
- A–D · 469 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 4 modified (phosphorylation).
Compared structures
- 4NND · Structural basis of PTPN18 fingerprint on distinct HER2 tyrosine phosphorylation sites · the same entry in another collection · chain H against H, TM-score 1.00
- Q99952 · AlphaFold monomer V2.0 prediction for tyrosine-protein phosphatase non-receptor type 18… · a predicted model of the same protein · chain G against A, TM-score 0.99
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 Q99952
- Every structure of UniProt P04626
- Elsewhere: RCSB PDB 4NND · PDBe 4NND · UniProt Q99952 · UniProt P04626
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