Research workbench
Ca-S100A1 interacting with TRTK12
Analyse Ca-S100A1 interacting with TRTK12 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2KBM
- Type
- protein
- Length
- 210 residues
- Chains
- 4
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- F-actin-capping protein subunit alpha-2; Protein S100-A1
- UniProt
- Q3T1K5, P35467
- Ligands
- CA
- Pockets
- 2 · best druggability 0.80
Structure
solution nmr · 2 distinct chains · 64% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X, Y | F-actin-capping protein subunit alpha-2 | protein | 12 | 42% helix, 0% strand | Q3T1K5 |
| A, B | Protein S100-A1 | protein | 93 | 67% helix, 4% strand | P35467 |
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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 126 | 0.80 | 0.97 | 29 | empty |
| 2 | 56 | 0.29 | 0.74 | 13 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1328 Ų buried · 4 hydrogen bonds · protein-protein
- X–A · 583 Ų buried · 7 hydrogen bonds · protein-protein
- Y–B · 564 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 2KBM · Ca-S100A1 interacting with TRTK12 · the same entry in another collection · chain X against X, TM-score 1.00
- P35467 · AlphaFold monomer V2.0 prediction for protein S100-A1 (P35467) · a predicted model of the same protein · chain A against A, TM-score 0.87
- Q3T1K5 · AlphaFold monomer V2.0 prediction for F-actin-capping protein subunit alpha-2 (Q3T1K5) · a predicted model of the same protein · chain Y against A, TM-score 0.31
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 Q3T1K5
- Every structure of UniProt P35467
- Elsewhere: RCSB PDB 2KBM · PDBe 2KBM · UniProt Q3T1K5 · UniProt P35467
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