MolNFT v1 · #182894 · protein

Crystal structure of SARS-cov-2 nendou in complex with Z2472938267

7N7R · Uridylate-specific endoribonuclease: “Crystal structure of SARS-cov-2 nendou in complex with Z2472938267”. X-ray diffraction, 1 ligand (S6V), 8 pockets (best druggability 0.60). MolNFT v1 #182894 on GenesisL1: 3D structure, binding…

PDB: 7N7R
Type: protein
Length: 696 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Uridylate-specific endoribonuclease
EC: 3.1.-.-
UniProt: P0DTD1
Ligands: S6V
Pockets: 8 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Uridylate-specific endoribonuclease (EC 3.1.-.-)	protein	348	21% helix, 31% strand	P0DTD1

Ligands and binding sites

S6V · 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea · ligand · chains B

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

Pockets

8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	231	0.60	0.80	26	empty
2	217	0.59	0.80	28	empty
3	122	0.41	0.76	19	empty
4	114	0.39	0.75	21	empty
5	66	0.33	0.76	14	empty

Interfaces

1 interface between chains.

A–B · 611 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

7N7R · Crystal Structure of SARS-CoV-2 NendoU in complex with Z2472938267 · 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 P0DTD1
Elsewhere: RCSB PDB 7N7R · PDBe 7N7R · UniProt P0DTD1

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