Research workbench
Structures of spop-substrate complexes: insights into molecular architectures of btb-CUL3 ubiquitin ligases: spopmathx- MACROH2ASBCPEP2
Analyse Structures of spop-substrate complexes: insights into molecular architectures… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3HSV
- Type
- protein
- Length
- 276 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Speckle-type poz protein; Core histone macro-H2A.1
- UniProt
- O43791, O75367
- Ligands
- ACE, ZN, SO4
- Pockets
- 2 · best druggability 0.39
Structure
x-ray diffraction · 3 distinct chains · 12% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Speckle-type poz protein | protein | 133 | 12% helix, 49% strand | O43791 |
| B | Speckle-type poz protein | protein | 132 | 12% helix, 50% strand | O43791 |
| M | Core histone macro-H2A.1 | protein | 11 | 0% helix, 9% strand | O75367 |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains A, M
- ZN · Zinc ion · metal · 3 copies · chains A, B, M
- SO4 · Sulfate ion · ion · chains 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 87 | 0.39 | 0.77 | 20 | empty |
| 2 | 122 | 0.39 | 0.74 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–M · 448 Ų buried · 13 hydrogen bonds · protein-protein
- B–M · 326 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 288 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 3HSV · Structures of SPOP-Substrate Complexes: Insights into Molecular Architectures of BTB-Cul3… · the same entry in another collection · chain A against A, TM-score 1.00
- O43791 · AlphaFold monomer V2.0 prediction for speckle-type poz protein (O43791) · a predicted model of the same protein · chain B against A, TM-score 0.99
- O75367 · AlphaFold monomer V2.0 prediction for core histone macro-H2A.1 (O75367) · a predicted model of the same protein · chain M against A, TM-score 0.34
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 O43791
- Every structure of UniProt O75367
- Elsewhere: RCSB PDB 3HSV · PDBe 3HSV · UniProt O43791 · UniProt O75367
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