MolNFT v1 · #132292 · protein
Pandda analysis group deposition -- crystal structure of human STAG1 in complex with Z396380540
5QSQ · Cohesin subunit sa-1: “Pandda analysis group deposition -- crystal structure of human STAG1 in complex with Z396380540”. X-ray diffraction, 1 ligand (HR5), 10 pockets (best druggability 0.44). MolNFT v1 #132292 on GenesisL1: 3D…
- PDB
- 5QSQ
- Type
- protein
- Length
- 860 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cohesin subunit sa-1
- UniProt
- Q8WVM7
- Ligands
- HR5
- Pockets
- 10 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cohesin subunit sa-1 | protein | 435 | 77% helix, 0% strand | Q8WVM7 |
| B | Cohesin subunit sa-1 | protein | 425 | 74% helix, 0% strand | Q8WVM7 |
Ligands and binding sites
- HR5 · ~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 210 | 0.44 | 0.73 | 30 | empty |
| 2 | 99 | 0.40 | 0.77 | 20 | empty |
| 3 | 83 | 0.37 | 0.77 | 20 | empty |
| 4 | 93 | 0.33 | 0.73 | 15 | empty |
| 5 | 77 | 0.32 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 266 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5QSQ · PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with… · the same entry in another collection · chain A against A, 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 0.94
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
- Elsewhere: RCSB PDB 5QSQ · PDBe 5QSQ · UniProt Q8WVM7
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