Research workbench
Crystal structure of mouse sts-1 pgm domain in complex with phosphate
Analyse Crystal structure of mouse sts-1 pgm domain in complex with phosphate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2IKQ
- Type
- protein
- Length
- 776 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Suppressor of T-cell receptor signaling 1
- UniProt
- Q8BGG7
- Ligands
- PO4
- Pockets
- 9 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 37% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Suppressor of T-cell receptor signaling 1 | protein | 262 | 37% helix, 13% strand | Q8BGG7 |
| B | Suppressor of T-cell receptor signaling 1 | protein | 256 | 38% helix, 14% strand | Q8BGG7 |
| M | Suppressor of T-cell receptor signaling 1 | protein | 258 | 37% helix, 14% strand | Q8BGG7 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 3 copies · chains A, B, M
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1093 | 0.80 | 0.81 | 83 | empty |
| 2 | 282 | 0.64 | 0.81 | 28 | empty |
| 3 | 271 | 0.59 | 0.79 | 33 | empty |
| 4 | 201 | 0.48 | 0.75 | 28 | empty |
| 5 | 134 | 0.45 | 0.77 | 27 | PO4 |
Interfaces
3 interfaces between chains.
- A–B · 1632 Ų buried · 24 hydrogen bonds · protein-protein
- B–M · 559 Ų buried · 6 hydrogen bonds · protein-protein
- A–M · 354 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2IKQ · Crystal structure of mouse Sts-1 PGM domain in complex with phosphate · the same entry in another collection · chain A against A, TM-score 1.00
- Q8BGG7 · AlphaFold monomer V2.0 prediction for ubiquitin-associated and SH3 domain-containing… · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q8BGG7
- Elsewhere: RCSB PDB 2IKQ · PDBe 2IKQ · UniProt Q8BGG7
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