MolNFT v1 · #161957 · protein + DNA
The complex structure of hsrosr-sg (VNG0258/ROSR-sg)
6QUA · Hsrosr-DNA binding protein: “The complex structure of hsrosr-sg (VNG0258/ROSR-sg)”. X-ray diffraction, 2 ligands (MN, SO4), 13 pockets (best druggability 0.80). MolNFT v1 #161957 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6QUA
- Type
- protein + DNA
- Length
- 566 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hsrosr-DNA binding protein; DNA (28-mer)
- UniProt
- Q9HSF4
- Ligands
- MN, SO4
- Pockets
- 13 · best druggability 0.80
Structure
x-ray diffraction · 6 distinct chains · 64% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hsrosr-DNA binding protein | protein | 112 | 65% helix, 10% strand | Q9HSF4 |
| B | Hsrosr-DNA binding protein | protein | 116 | 66% helix, 13% strand | Q9HSF4 |
| C | Hsrosr-DNA binding protein | protein | 112 | 64% helix, 11% strand | Q9HSF4 |
| D | Hsrosr-DNA binding protein | protein | 114 | 61% 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 · 4 copies · chains A, B, C
- SO4 · Sulfate ion · ion · 13 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 143 | 0.80 | 0.97 | 28 | empty |
| 2 | 548 | 0.76 | 0.83 | 79 | MN |
| 3 | 715 | 0.70 | 0.77 | 54 | empty |
| 4 | 673 | 0.68 | 0.77 | 54 | empty |
| 5 | 141 | 0.50 | 0.80 | 29 | empty |
Interfaces
17 interfaces between chains.
- A–B · 2108 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 2077 Ų buried · 19 hydrogen bonds · protein-protein
- G–H · 1296 Ų buried · 142 hydrogen bonds · nucleic-nucleic
- E–F · 1290 Ų buried · 123 hydrogen bonds · nucleic-nucleic
- B–E · 491 Ų buried · 15 hydrogen bonds · protein-nucleic
Compared structures
- 6QUA · The complex structure of hsRosR-SG (vng0258/RosR-SG) · 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 6QUA · PDBe 6QUA · UniProt Q9HSF4
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