MolNFT v1 · #115735 · protein
S100B-RSK1 crystal structure a'
5CSI · Protein S100-B: “S100B-RSK1 crystal structure a'”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.33). MolNFT v1 #115735 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5CSI
- Type
- protein
- Length
- 198 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
- 1 · best druggability 0.33
Structure
x-ray diffraction · 3 distinct chains · 57% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein S100-B | protein | 93 | 60% helix, 2% strand | P04271 |
| B | Protein S100-B | protein | 90 | 62% helix, 3% strand | P04271 |
| C | Ribosomal protein S6 kinase alpha-1 (EC 2.7.11.1) | protein | 15 | 0% helix, 7% 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
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 | 58 | 0.33 | 0.76 | 12 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1516 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 405 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 317 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 5CSI · S100B-RSK1 crystal structure A' · the same entry in another collection · chain C against C, 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 0.97
- 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 0.17
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 5CSI · PDBe 5CSI · UniProt P04271 · UniProt Q15418
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