Research workbench
Crystal structure of the central region of human cohesin subunit STAG1 in complex with RAD21 peptide
Analyse Crystal structure of the central region of human cohesin subunit STAG1 in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6RRK
- Type
- protein
- Length
- 915 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cohesin subunit sa-1; Double-strand-break repair protein RAD21 homolog
- UniProt
- Q8WVM7, O60216
- Pockets
- 10 · best druggability 0.47
Structure
x-ray diffraction · 3 distinct chains · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Cohesin subunit sa-1 | protein | 431 | 72% helix, 0% strand | Q8WVM7 |
| A | Cohesin subunit sa-1 | protein | 430 | 72% helix, 0% strand | Q8WVM7 |
| C, D | Double-strand-break repair protein RAD21 homolog | protein | 27 | 44% helix, 0% strand | O60216 |
Pockets
10 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 194 | 0.47 | 0.75 | 25 | empty |
| 2 | 201 | 0.46 | 0.74 | 31 | empty |
| 3 | 85 | 0.42 | 0.79 | 18 | empty |
| 4 | 77 | 0.37 | 0.76 | 12 | empty |
| 5 | 92 | 0.37 | 0.76 | 20 | empty |
Interfaces
4 interfaces between chains.
- A–C · 1330 Ų buried · 14 hydrogen bonds · protein-protein
- B–D · 1304 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 38 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 34 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6RRK · Crystal structure of the central region of human cohesin subunit STAG1 in complex with… · the same entry in another collection · chain B against B, TM-score 1.00
- Q8WVM7 · AlphaFold monomer V2.0 prediction for cohesin subunit sa-1 (Q8WVM7) · a predicted model of the same protein · chain B against A, TM-score 0.96
- O60216 · AlphaFold monomer V2.0 prediction for double-strand-break repair protein RAD21 homolog… · a predicted model of the same protein · chain C against A, TM-score 0.82
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 Q8WVM7
- Every structure of UniProt O60216
- Elsewhere: RCSB PDB 6RRK · PDBe 6RRK · UniProt Q8WVM7 · UniProt O60216
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