MolNFT v1 · #31043 · protein
Crystal structure of the catalytic domain of human tyrosine receptor phosphatase beta
2AHS · Receptor-type tyrosine-protein phosphatase beta: “Crystal structure of the catalytic domain of human tyrosine receptor phosphatase beta”. X-ray diffraction, 2 ligands (NA, CL), 4 pockets (best druggability 0.72). MolNFT v1 #31043 on…
- PDB
- 2AHS
- Type
- protein
- Length
- 553 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Receptor-type tyrosine-protein phosphatase beta
- EC
- 3.1.3.48
- UniProt
- P23467
- Ligands
- NA, CL
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Receptor-type tyrosine-protein phosphatase beta (EC 3.1.3.48) | protein | 281 | 40% helix, 21% strand | P23467 |
| B | Receptor-type tyrosine-protein phosphatase beta (EC 3.1.3.48) | protein | 272 | 33% helix, 23% strand | P23467 |
Ligands and binding sites
- NA · Sodium ion · metal · chains A
- CL · Chloride ion · ion · 9 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1005 | 0.72 | 0.76 | 108 | CL, EDO |
| 2 | 107 | 0.40 | 0.76 | 23 | EDO |
| 3 | 50 | 0.34 | 0.79 | 15 | empty |
| 4 | 54 | 0.33 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 656 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 2AHS · Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta · the same entry in another collection · chain B against B, TM-score 1.00
- P23467 · AlphaFold monomer V2.0 prediction for receptor-type tyrosine-protein phosphatase beta… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P23467
- Elsewhere: RCSB PDB 2AHS · PDBe 2AHS · UniProt P23467
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