MolNFT v1 · #102805 · protein + DNA
Structural basis of SOSS1 in complex with a 35NT ssdna
4OWW · DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'): “Structural basis of SOSS1 in complex with a 35NT ssdna”. X-ray diffraction, 6 pockets (best druggability 0.66). MolNFT v1 #102805 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4OWW
- Type
- protein + DNA
- Length
- 615 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'); Integrator complex subunit 3; Soss complex subunit B1…
- UniProt
- Q68E01, Q9BQ15, Q9NRY2
- Pockets
- 6 · best druggability 0.66
Structure
x-ray diffraction · 4 distinct chains · 57% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3') | dna | 6 | — | — |
| A | Integrator complex subunit 3 | protein | 463 | 70% helix, 1% strand | Q68E01 |
| B | Soss complex subunit B1 | protein | 107 | 8% helix, 54% strand | Q9BQ15 |
| C | Soss complex subunit C | protein | 39 | 38% helix, 15% strand | Q9NRY2 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 202 | 0.66 | 0.85 | 31 | empty |
| 2 | 455 | 0.62 | 0.76 | 46 | empty |
| 3 | 54 | 0.44 | 0.83 | 16 | empty |
| 4 | 62 | 0.35 | 0.77 | 18 | empty |
| 5 | 58 | 0.33 | 0.77 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1182 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 876 Ų buried · 9 hydrogen bonds · protein-protein
- L–B · 573 Ų buried · 13 hydrogen bonds · protein-nucleic
Compared structures
- 4OWW · Structural basis of SOSS1 in complex with a 35nt ssDNA · the same entry in another collection · chain L against L, TM-score 1.00
- Q68E01 · AlphaFold monomer V2.0 prediction for integrator complex subunit 3 (Q68E01) · a predicted model of the same protein · chain A against A, TM-score 0.99
- Q9BQ15 · AlphaFold monomer V2.0 prediction for soss complex subunit B1 (Q9BQ15) · a predicted model of the same protein · chain B against A, TM-score 0.86
- Q9NRY2 · AlphaFold monomer V2.0 prediction for soss complex subunit C (Q9NRY2) · a predicted model of the same protein · chain C against A, TM-score 0.84
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 Q68E01
- Every structure of UniProt Q9BQ15
- Every structure of UniProt Q9NRY2
- Elsewhere: RCSB PDB 4OWW · PDBe 4OWW · UniProt Q68E01 · UniProt Q9BQ15 · UniProt Q9NRY2
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