MolNFT v1 · #32571 · protein
Solution structure of the tpr domain from protein phosphatase 5 in complex with HSP90 derived peptide
2BUG · SERINE/THREONINE protein phosphatase 5: “Solution structure of the tpr domain from protein phosphatase 5 in complex with HSP90 derived peptide”. Solution nmr, 1 ligand (ACE), 1 pocket (best druggability 0.26). MolNFT v1 #32571 on…
- PDB
- 2BUG
- Type
- protein
- Length
- 136 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE protein phosphatase 5; HSP90
- EC
- 3.1.3.16
- UniProt
- P53041, Q9H2A1
- Ligands
- ACE
- Pockets
- 1 · best druggability 0.26
Structure
solution nmr · 2 distinct chains · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE protein phosphatase 5 (EC 3.1.3.16) | protein | 131 | 79% helix, 0% strand | P53041 |
| B | HSP90 | protein | 5 | 0% helix, 0% strand | Q9H2A1 |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains B
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 | 57 | 0.26 | 0.72 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 308 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 2BUG · Solution structure of the TPR domain from Protein phosphatase 5 in complex with Hsp90… · the same entry in another collection · chain A against A, TM-score 1.00
- P53041 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 5 (P53041) · a predicted model of the same protein · chain A against A, TM-score 0.91
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 P53041
- Every structure of UniProt Q9H2A1
- Elsewhere: RCSB PDB 2BUG · PDBe 2BUG · UniProt P53041 · UniProt Q9H2A1
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