MolNFT v1 · #78249 · protein
Crystal structure of the catalytic domain of PTP10D from drosophila melanogaster
3S3E · Tyrosine-protein phosphatase 10D: “Crystal structure of the catalytic domain of PTP10D from drosophila melanogaster”. X-ray diffraction, 3 pockets (best druggability 0.69). MolNFT v1 #78249 on GenesisL1: 3D structure, binding sites…
- PDB
- 3S3E
- Type
- protein
- Length
- 572 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase 10D
- EC
- 3.1.3.48
- UniProt
- P35992
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein phosphatase 10D (EC 3.1.3.48) | protein | 287 | 35% helix, 22% strand | P35992 |
| B | Tyrosine-protein phosphatase 10D (EC 3.1.3.48) | protein | 285 | 35% helix, 21% strand | P35992 |
Ligands and binding sites
- 1BO · 1-butanol · additive · 7 copies · chains A, B
- IPA · Isopropyl alcohol · additive · 3 copies · chains A, B
- BU1 · 1,4-butanediol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 687 | 0.69 | 0.77 | 63 | 1BO, IPA |
| 2 | 233 | 0.54 | 0.77 | 30 | empty |
| 3 | 215 | 0.47 | 0.74 | 33 | IPA |
Interfaces
1 interface between chains.
- A–B · 720 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3S3E · Crystal structure of the catalytic domain of PTP10D from Drosophila melanogaster · 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 P35992
- Elsewhere: RCSB PDB 3S3E · PDBe 3S3E · UniProt P35992
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