MolNFT v1 · #50082 · protein + RNA

Crystal structure of rotavirus SA11 VP1 / RNA (ugugcc) complex

2R7S · RNA (5'-R(*UP*GP*UP*GP*CP*C)-3'): “Crystal structure of rotavirus SA11 VP1 / RNA (ugugcc) complex”. X-ray diffraction, 1 ligand (PO4), 16 pockets (best druggability 0.85). MolNFT v1 #50082 on GenesisL1: 3D structure, binding sites…

PDB: 2R7S
Type: protein + RNA
Length: 1,079 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: RNA (5'-R(*UP*GP*UP*GP*CP*C)-3'); RNA-dependent RNA polymerase
UniProt: O37061
Ligands: PO4
Pockets: 16 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
X	RNA (5'-R(UPGPUPGPCPC)-3')	rna	6	—	—
A	RNA-dependent RNA polymerase	protein	1073	53% helix, 13% strand	O37061

Ligands and binding sites

PO4 · Phosphate ion · ion · chains X, A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

16 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1072	0.85	0.86	118	empty
2	337	0.72	0.84	46	empty
3	339	0.72	0.84	45	empty
4	386	0.66	0.80	37	empty
5	162	0.62	0.84	25	empty

Interfaces

1 interface between chains.

X–A · 897 Å² buried · 16 hydrogen bonds · protein-nucleic

Compared structures

2R7S · Crystal Structure of Rotavirus SA11 VP1 / RNA (UGUGCC) complex · the same entry in another collection · chain X against X, 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 O37061
Elsewhere: RCSB PDB 2R7S · PDBe 2R7S · UniProt O37061

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