MolNFT v1 · #92682 · protein
PTPN18 in complex with HER2-PY1196 phosphor-peptides
4GFV · Tyrosine-protein phosphatase non-receptor type 18: “PTPN18 in complex with HER2-PY1196 phosphor-peptides”. X-ray diffraction, 5 pockets (best druggability 0.67). MolNFT v1 #92682 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4GFV
- Type
- protein
- Length
- 585 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase non-receptor type 18; HER2-PY1196 phosphor-peptide
- EC
- 3.1.3.48
- UniProt
- Q99952
- Pockets
- 5 · best druggability 0.67
Structure
x-ray diffraction · 4 distinct chains · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein phosphatase non-receptor type 18 (EC 3.1.3.48) | protein | 286 | 40% helix, 21% strand | Q99952 |
| B | Tyrosine-protein phosphatase non-receptor type 18 (EC 3.1.3.48) | protein | 288 | 38% helix, 21% strand | Q99952 |
| E | HER2-PY1196 phosphor-peptide | protein | 6 | 0% helix, 0% strand | — |
| F | HER2-PY1196 phosphor-peptide | protein | 5 | 0% helix, 0% strand | — |
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 447 | 0.67 | 0.79 | 66 | empty |
| 2 | 131 | 0.43 | 0.76 | 22 | empty |
| 3 | 159 | 0.42 | 0.74 | 18 | empty |
| 4 | 122 | 0.41 | 0.75 | 18 | empty |
| 5 | 114 | 0.39 | 0.75 | 20 | empty |
Interfaces
3 interfaces between chains.
- A–B · 480 Ų buried · 0 hydrogen bonds · protein-protein
- B–E · 444 Ų buried · 14 hydrogen bonds · protein-protein
- A–F · 428 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 4GFV · PTPN18 in complex with HER2-pY1196 phosphor-peptides · the same entry in another collection · chain A against A, 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 B 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
- Elsewhere: RCSB PDB 4GFV · PDBe 4GFV · UniProt Q99952
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