MolNFT v1 · #50702 · protein
Solution structure of BEM1P SH3CI domain complexed with STE20P-prr peptide
2RQW · Bud emergence protein 1: “Solution structure of BEM1P SH3CI domain complexed with STE20P-prr peptide”. Solution nmr, 1 pocket (best druggability 0.51). MolNFT v1 #50702 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2RQW
- Type
- protein
- Length
- 129 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bud emergence protein 1; 24-meric peptide from SERINE/THREONINE-protein kinase STE20
- UniProt
- P29366, Q03497
- Pockets
- 1 · best druggability 0.51
Structure
solution nmr · 2 distinct chains · 12% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bud emergence protein 1 | protein | 105 | 14% helix, 25% strand | P29366 |
| B | 24-meric peptide from SERINE/THREONINE-protein kinase STE20 | protein | 24 | 0% helix, 0% strand | Q03497 |
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 158 | 0.51 | 0.78 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 718 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2RQW · Solution structure of Bem1p SH3CI domain complexed with Ste20p-PRR peptide · the same entry in another collection · chain A against A, TM-score 1.00
- P29366 · AlphaFold monomer V2.0 prediction for bud emergence protein 1 (P29366) · a predicted model of the same protein · chain A against A, TM-score 0.75
- Q03497 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase STE20 (Q03497) · a predicted model of the same protein · chain B against A, TM-score 0.22
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 P29366
- Every structure of UniProt Q03497
- Elsewhere: RCSB PDB 2RQW · PDBe 2RQW · UniProt P29366 · UniProt Q03497
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