Research workbench
Crystal structure of the hd-ptp BRO1 domain
Analyse Crystal structure of the hd-ptp BRO1 domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3RAU
- Type
- protein
- Length
- 715 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase non-receptor type 23
- EC
- 3.1.3.48
- UniProt
- Q9H3S7
- Pockets
- 9 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 66% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein phosphatase non-receptor type 23 (EC 3.1.3.48) | protein | 358 | 66% helix, 3% strand | Q9H3S7 |
| B | Tyrosine-protein phosphatase non-receptor type 23 (EC 3.1.3.48) | protein | 357 | 66% helix, 3% strand | Q9H3S7 |
Ligands and binding sites
- ACT · Acetate ion · additive · 8 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 739 | 0.73 | 0.78 | 67 | ACT |
| 2 | 139 | 0.57 | 0.82 | 25 | empty |
| 3 | 154 | 0.52 | 0.79 | 26 | empty |
| 4 | 174 | 0.47 | 0.76 | 28 | EDO |
| 5 | 111 | 0.41 | 0.76 | 24 | ACT |
Interfaces
1 interface between chains.
- A–B · 743 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
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 Q9H3S7
- Elsewhere: RCSB PDB 3RAU · PDBe 3RAU · UniProt Q9H3S7
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