Research workbench
The complex structure of hsrosr-S1 (VNG0258H/ROSR-S1)
Analyse The complex structure of hsrosr-S1 (VNG0258H/ROSR-S1) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6QIL
- Type
- protein + DNA
- Length
- 569 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA binding protein; DNA (28-mer)
- UniProt
- Q9HSF4
- Ligands
- MN, SO4
- Pockets
- 12 · best druggability 0.84
Structure
x-ray diffraction · 6 distinct chains · 67% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA binding protein | protein | 115 | 67% helix, 10% strand | Q9HSF4 |
| B | DNA binding protein | protein | 116 | 66% helix, 13% strand | Q9HSF4 |
| C | DNA binding protein | protein | 112 | 67% helix, 13% strand | Q9HSF4 |
| D | DNA binding protein | protein | 114 | 68% helix, 11% strand | Q9HSF4 |
| E, G | DNA (28-mer) | dna | 28 | — | — |
| F, H | DNA (28-mer) | dna | 28 | — | — |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 11 copies · chains A, D, B, C, E, H, G
- SO4 · Sulfate ion · ion · 14 copies · chains A, B, C, D, E, F, G, H
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 204 | 0.84 | 0.97 | 36 | empty |
| 2 | 549 | 0.76 | 0.84 | 58 | empty |
| 3 | 459 | 0.67 | 0.80 | 42 | empty |
| 4 | 411 | 0.63 | 0.78 | 47 | MES, MN |
| 5 | 173 | 0.57 | 0.81 | 29 | empty |
Interfaces
17 interfaces between chains.
- A–B · 2126 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 2078 Ų buried · 16 hydrogen bonds · protein-protein
- E–F · 1260 Ų buried · 105 hydrogen bonds · nucleic-nucleic
- G–H · 1256 Ų buried · 115 hydrogen bonds · nucleic-nucleic
- A–E · 516 Ų buried · 16 hydrogen bonds · protein-nucleic
Compared structures
- 6QIL · The complex structure of hsRosR-S1 (VNG0258H/RosR-S1) · the same entry in another collection · chain A against A, TM-score 1.00
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 Q9HSF4
- Elsewhere: RCSB PDB 6QIL · PDBe 6QIL · UniProt Q9HSF4
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