MolNFT v1 · #161520 · protein + DNA
The complex structure of hsrosr-S5 (VNG0258H/ROSR-S5)
6QH0 · Hsrosr DNA binding protein: “The complex structure of hsrosr-S5 (VNG0258H/ROSR-S5)”. X-ray diffraction, 2 ligands (MN, SO4), 11 pockets (best druggability 0.81). MolNFT v1 #161520 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6QH0
- Type
- protein + DNA
- Length
- 567 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
- 11 · best druggability 0.81
Structure
x-ray diffraction · 6 distinct chains · 66% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hsrosr DNA binding protein | protein | 115 | 66% helix, 13% strand | Q9HSF4 |
| B | Hsrosr DNA binding protein | protein | 116 | 66% helix, 10% strand | Q9HSF4 |
| C | Hsrosr DNA binding protein | protein | 110 | 65% helix, 8% strand | Q9HSF4 |
| D | Hsrosr DNA binding protein | protein | 114 | 67% helix, 9% 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 · 5 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 23 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
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 164 | 0.81 | 0.97 | 35 | empty |
| 2 | 143 | 0.80 | 0.97 | 28 | empty |
| 3 | 767 | 0.70 | 0.77 | 53 | empty |
| 4 | 610 | 0.69 | 0.78 | 49 | empty |
| 5 | 464 | 0.68 | 0.80 | 57 | MN |
Interfaces
17 interfaces between chains.
- A–B · 2154 Ų buried · 23 hydrogen bonds · protein-protein
- C–D · 2018 Ų buried · 13 hydrogen bonds · protein-protein
- E–F · 1278 Ų buried · 147 hydrogen bonds · nucleic-nucleic
- G–H · 1264 Ų buried · 139 hydrogen bonds · nucleic-nucleic
- D–F · 505 Ų buried · 15 hydrogen bonds · protein-nucleic
Compared structures
- 6QH0 · The complex structure of hsRosR-S5 (VNG0258H/RosR-S5) · 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 6QH0 · PDBe 6QH0 · UniProt Q9HSF4
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