MolNFT v1 · #67026 · protein
Protein tyrosine phosphatase 1B - transition state analog for the first catalytic step
3I7Z · Tyrosine-protein phosphatase non-receptor type 1: “Protein tyrosine phosphatase 1B - transition state analog for the first catalytic step”. X-ray diffraction, 1 ligand (VO4), 1 pocket (best druggability 0.32). MolNFT v1 #67026 on…
- PDB
- 3I7Z
- Type
- protein
- Length
- 303 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase non-receptor type 1; EGFR receptor fragment
- EC
- 3.1.3.48
- UniProt
- P18031
- Ligands
- VO4
- Pockets
- 1 · best druggability 0.32
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein phosphatase non-receptor type 1 (EC 3.1.3.48) | protein | 297 | 37% helix, 22% strand | P18031 |
| B | EGFR receptor fragment | protein | 6 | 0% helix, 0% strand | — |
Ligands and binding sites
- VO4 · Vanadate ion · ion · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 75 | 0.32 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 416 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3I7Z · Protein Tyrosine Phosphatase 1B - Transition state analog for the first catalytic step · 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 P18031
- Elsewhere: RCSB PDB 3I7Z · PDBe 3I7Z · UniProt P18031
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