Research workbench
Crystal structure of the N-terminal region of human cohesin subunit STAG1 in complex with RAD21 peptide
Analyse Crystal structure of the N-terminal 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
- 6RRC
- Type
- protein
- Length
- 690 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
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.60
Structure
x-ray diffraction · 4 distinct chains · 77% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Cohesin subunit sa-1 | protein | 331 | 79% helix, 1% strand | Q8WVM7 |
| B | Double-strand-break repair protein RAD21 homolog | protein | 18 | 17% helix, 11% strand | O60216 |
| A | Cohesin subunit sa-1 | protein | 319 | 82% helix, 1% strand | Q8WVM7 |
| D | Double-strand-break repair protein RAD21 homolog | protein | 22 | 32% helix, 9% strand | O60216 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 62 | 0.60 | 0.91 | 21 | empty |
| 2 | 250 | 0.57 | 0.78 | 22 | empty |
| 3 | 254 | 0.49 | 0.74 | 31 | empty |
| 4 | 92 | 0.47 | 0.81 | 14 | empty |
| 5 | 87 | 0.34 | 0.74 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–D · 973 Ų buried · 23 hydrogen bonds · protein-protein
- C–B · 864 Ų buried · 17 hydrogen bonds · protein-protein
- C–A · 807 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6RRC · Crystal structure of the N-terminal region of human cohesin subunit STAG1 in complex with… · the same entry in another collection · chain D against D, TM-score 1.00
- Q8WVM7 · AlphaFold monomer V2.0 prediction for cohesin subunit sa-1 (Q8WVM7) · a predicted model of the same protein · chain A against A, TM-score 0.97
- O60216 · AlphaFold monomer V2.0 prediction for double-strand-break repair protein RAD21 homolog… · a predicted model of the same protein · chain D against A, TM-score 0.39
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 6RRC · PDBe 6RRC · UniProt Q8WVM7 · UniProt O60216
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