MolNFT v1 · #161743 · protein
Structure of the SA2/SCC1/CTCF complex
6QNX · Cohesin subunit sa-2: “Structure of the SA2/SCC1/CTCF complex”. X-ray diffraction, 10 pockets (best druggability 0.75). MolNFT v1 #161743 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6QNX
- Type
- protein
- Length
- 1,011 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cohesin subunit sa-2; Double-strand-break repair protein RAD21 homolog; Transcriptional…
- UniProt
- Q8N3U4, O60216, P49711
- Pockets
- 10 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 70% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cohesin subunit sa-2 | protein | 928 | 73% helix, 0% strand | Q8N3U4 |
| B | Double-strand-break repair protein RAD21 homolog | protein | 74 | 39% helix, 5% strand | O60216 |
| C | Transcriptional repressor ctcf | protein | 9 | 33% helix, 0% strand | P49711 |
Pockets
10 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1136 | 0.75 | 0.78 | 77 | empty |
| 2 | 59 | 0.42 | 0.82 | 17 | empty |
| 3 | 79 | 0.42 | 0.79 | 13 | empty |
| 4 | 99 | 0.36 | 0.75 | 20 | empty |
| 5 | 105 | 0.35 | 0.73 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–B · 3658 Ų buried · 58 hydrogen bonds · protein-protein
- A–C · 485 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 210 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6QNX · Structure of the SA2/SCC1/CTCF complex · the same entry in another collection · chain A against A, TM-score 1.00
- Q8N3U4 · AlphaFold monomer V2.0 prediction for cohesin subunit sa-2 (Q8N3U4) · a predicted model of the same protein · chain A against A, TM-score 0.99
- O60216 · AlphaFold monomer V2.0 prediction for double-strand-break repair protein RAD21 homolog… · a predicted model of the same protein · chain B against A, TM-score 0.88
- P49711 · AlphaFold monomer V2.0 prediction for transcriptional repressor ctcf (P49711) · a predicted model of the same protein · chain C against A, TM-score 0.46
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 Q8N3U4
- Every structure of UniProt O60216
- Every structure of UniProt P49711
- Elsewhere: RCSB PDB 6QNX · PDBe 6QNX · UniProt Q8N3U4 · UniProt O60216 · UniProt P49711
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