MolNFT v1 · #119704 · protein

Crystal structure of aura virus capsid protein in complex with piperazine.

5G4B: “Crystal structure of aura virus capsid protein in complex with piperazine.”. X-ray diffraction, 1 ligand (PZE), 1 pocket (best druggability 0.34). MolNFT v1 #119704 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5G4B
Type: protein
Length: 152 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Capsid protein
EC: 3.4.21.90
UniProt: Q86925
Ligands: PZE
Pockets: 1 · best druggability 0.34

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Capsid protein (EC 3.4.21.90)	protein	152	0% helix, 49% strand	Q86925

Ligands and binding sites

PZE · piperazine · ligand · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	62	0.34	0.76	16	PZE

Compared structures

5G4B · Crystal structure of Aura virus capsid protein in complex with piperazine. · 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 Q86925
Elsewhere: RCSB PDB 5G4B · PDBe 5G4B · UniProt Q86925

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