MolNFT v1 · #132295 · protein
Pandda analysis group deposition -- crystal structure of human STAG1 in complex with Z2447286438
5QST · Cohesin subunit sa-1: “Pandda analysis group deposition -- crystal structure of human STAG1 in complex with Z2447286438”. X-ray diffraction, 1 ligand (O3A), 7 pockets (best druggability 0.40). MolNFT v1 #132295 on GenesisL1: 3D…
- PDB
- 5QST
- Type
- protein
- Length
- 1,221 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cohesin subunit sa-1
- UniProt
- Q8WVM7
- Ligands
- O3A
- Pockets
- 7 · best druggability 0.40
Structure
x-ray diffraction · 4 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Cohesin subunit sa-1 | protein | 315 | 77% helix, 0% strand | Q8WVM7 |
| A | Cohesin subunit sa-1 | protein | 297 | 76% helix, 0% strand | Q8WVM7 |
| B | Cohesin subunit sa-1 | protein | 298 | 78% helix, 0% strand | Q8WVM7 |
| D | Cohesin subunit sa-1 | protein | 311 | 78% helix, 0% strand | Q8WVM7 |
Ligands and binding sites
- O3A · (3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide · ligand · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.40 | 0.81 | 15 | empty |
| 2 | 101 | 0.38 | 0.75 | 16 | empty |
| 3 | 86 | 0.32 | 0.73 | 14 | empty |
| 4 | 56 | 0.30 | 0.76 | 10 | empty |
| 5 | 68 | 0.30 | 0.74 | 17 | empty |
Interfaces
4 interfaces between chains.
- B–D · 1121 Ų buried · 5 hydrogen bonds · protein-protein
- C–A · 1098 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 705 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 654 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 5QST · PanDDA analysis group deposition -- Crystal Structure of human 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 D against A, TM-score 0.96
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 5QST · PDBe 5QST · UniProt Q8WVM7
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