MolNFT v1 · #161337 · protein
Crystal structure of the N-terminal region of human cohesin subunit STAG1
6QB5 · Cohesin subunit sa-1: “Crystal structure of the N-terminal region of human cohesin subunit STAG1”. X-ray diffraction, 1 ligand (NA), 8 pockets (best druggability 0.64). MolNFT v1 #161337 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6QB5
- Type
- protein
- Length
- 1,239 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cohesin subunit sa-1
- UniProt
- Q8WVM7
- Ligands
- NA
- Pockets
- 8 · best druggability 0.64
Structure
x-ray diffraction · 4 distinct chains · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Cohesin subunit sa-1 | protein | 315 | 79% helix, 0% strand | Q8WVM7 |
| A | Cohesin subunit sa-1 | protein | 303 | 79% helix, 0% strand | Q8WVM7 |
| B | Cohesin subunit sa-1 | protein | 316 | 79% helix, 0% strand | Q8WVM7 |
| D | Cohesin subunit sa-1 | protein | 305 | 78% helix, 0% strand | Q8WVM7 |
Ligands and binding sites
- NA · Sodium ion · metal · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 502 | 0.64 | 0.76 | 49 | empty |
| 2 | 216 | 0.56 | 0.79 | 38 | empty |
| 3 | 257 | 0.56 | 0.77 | 40 | empty |
| 4 | 231 | 0.50 | 0.75 | 34 | empty |
| 5 | 56 | 0.29 | 0.75 | 14 | empty |
Interfaces
4 interfaces between chains.
- C–B · 1168 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 671 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 345 Ų buried · 6 hydrogen bonds · protein-protein
- C–A · 224 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6QB5 · Crystal structure of the N-terminal region of human cohesin subunit STAG1 · 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 0.95
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 6QB5 · PDBe 6QB5 · UniProt Q8WVM7
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