MolNFT v1 · #115740 · protein
S100B-RSK1 crystal structure C
5CSN · Protein S100-B: “S100B-RSK1 crystal structure C”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.63). MolNFT v1 #115740 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5CSN
- Type
- protein
- Length
- 204 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein S100-B; Ribosomal protein S6 kinase alpha-1
- EC
- 2.7.11.1
- UniProt
- P04271, Q15418
- Ligands
- CA
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 3 distinct chains · 57% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein S100-B | protein | 94 | 60% helix, 2% strand | P04271 |
| B | Protein S100-B | protein | 91 | 62% helix, 3% strand | P04271 |
| C | Ribosomal protein S6 kinase alpha-1 (EC 2.7.11.1) | protein | 19 | 26% helix, 5% strand | Q15418 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 184 | 0.63 | 0.84 | 33 | empty |
| 2 | 107 | 0.50 | 0.81 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1547 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 492 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 263 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 5CSN · S100B-RSK1 crystal structure C · the same entry in another collection · chain A against A, TM-score 1.00
- P04271 · AlphaFold monomer V2.0 prediction for protein S100-B (P04271) · a predicted model of the same protein · chain B against A, TM-score 0.96
- Q15418 · AlphaFold monomer V2.0 prediction for ribosomal protein S6 kinase alpha-1 (Q15418) · a predicted model of the same protein · chain C against A, TM-score 0.36
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 P04271
- Every structure of UniProt Q15418
- Elsewhere: RCSB PDB 5CSN · PDBe 5CSN · UniProt P04271 · UniProt Q15418
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