Research workbench
Solution structure of calcium loaded S100B complexed to a peptide from N-terminal regulatory domain of ndr kinase.
Analyse Solution structure of calcium loaded S100B complexed to a peptide from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1PSB
- Type
- protein
- Length
- 234 residues
- Chains
- 4
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S-100 protein, beta chain; Ndr SER/THR kinase-like protein
- UniProt
- P02638, Q15208
- Pockets
- 2 · best druggability 0.46
Structure
solution nmr · 2 distinct chains · 62% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | S-100 protein, beta chain | protein | 91 | 67% helix, 8% strand | P02638 |
| C, D | Ndr SER/THR kinase-like protein | protein | 26 | 46% helix, 0% strand | Q15208 |
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 65 | 0.46 | 0.83 | 17 | empty |
| 2 | 50 | 0.39 | 0.81 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1699 Ų buried · 25 hydrogen bonds · protein-protein
- A–C · 801 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 773 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 1PSB · Solution structure of calcium loaded S100B complexed to a peptide from N-Terminal… · the same entry in another collection · chain A against A, TM-score 1.00
- P02638 · AlphaFold monomer V2.0 prediction for protein S100-B (P02638) · a predicted model of the same protein · chain A against A, TM-score 0.91
- Q15208 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase 38 (Q15208) · a predicted model of the same protein · chain C against A, TM-score 0.40
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 P02638
- Every structure of UniProt Q15208
- Elsewhere: RCSB PDB 1PSB · PDBe 1PSB · UniProt P02638 · UniProt Q15208
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