MolNFT v1 · #48078 · protein
Structure of the catalytic domain of the chick retinal neurite inhibitor-receptor protein tyrosine phosphatase cryp-2/CPTPRO
2PI7: “Structure of the catalytic domain of the chick retinal neurite inhibitor-receptor protein tyrosine…”. X-ray diffraction, 1 ligand (NO3), 8 pockets (best druggability 0.75). MolNFT v1 #48078 on GenesisL1: 3D structure, binding sites…
- PDB
- 2PI7
- Type
- protein
- Length
- 583 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein tyrosine phosphatase cryp-2
- UniProt
- Q98945
- Ligands
- NO3
- Pockets
- 8 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein tyrosine phosphatase cryp-2 | protein | 294 | 35% helix, 20% strand | Q98945 |
| B | Protein tyrosine phosphatase cryp-2 | protein | 289 | 34% helix, 20% strand | Q98945 |
Ligands and binding sites
- NO3 · Nitrate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 958 | 0.75 | 0.78 | 96 | empty |
| 2 | 81 | 0.34 | 0.75 | 18 | NO3 |
| 3 | 57 | 0.31 | 0.76 | 12 | empty |
| 4 | 61 | 0.30 | 0.74 | 12 | empty |
| 5 | 52 | 0.30 | 0.76 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 514 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2PI7 · Structure of the catalytic domain of the chick retinal neurite inhibitor-Receptor Protein… · 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 Q98945
- Elsewhere: RCSB PDB 2PI7 · PDBe 2PI7 · UniProt Q98945
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