Research workbench
Molecular bases of histo-blood group antigen recognition by the most common human rotavirus
Analyse Molecular bases of histo-blood group antigen recognition by the most common… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6H9Z
- Type
- protein
- Length
- 319 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Outer capsid protein VP4
- UniProt
- A0A0S0VKY7
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 57% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Outer capsid protein VP4 | protein | 160 | 8% helix, 58% strand | A0A0S0VKY7 |
| B | Outer capsid protein VP4 | protein | 159 | 8% helix, 57% strand | A0A0S0VKY7 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A, B
- DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 402 | 0.66 | 0.80 | 43 | empty |
| 2 | 82 | 0.34 | 0.75 | 20 | SO4 |
| 3 | 51 | 0.23 | 0.72 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 664 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 6H9Z · Molecular bases of histo-blood group antigen recognition by the most common human… · 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 A0A0S0VKY7
- Elsewhere: RCSB PDB 6H9Z · PDBe 6H9Z · UniProt A0A0S0VKY7
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