MolNFT v1 · #65212 · protein

Crystal structure of macro domain of venezuelan equine encephalitis virus

3GQE · Non-structural protein 3: “Crystal structure of macro domain of venezuelan equine encephalitis virus”. X-ray diffraction, 1 ligand (BCN), 2 pockets (best druggability 0.70). MolNFT v1 #65212 on GenesisL1: 3D structure, binding sites…

PDB: 3GQE
Type: protein
Length: 320 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Non-structural protein 3
UniProt: P36328
Ligands: BCN
Pockets: 2 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Non-structural protein 3	protein	162	37% helix, 20% strand	P36328
B	Non-structural protein 3	protein	158	36% helix, 21% strand	P36328

Ligands and binding sites

BCN · Bicine · ligand · chains A

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

Pockets

2 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	806	0.70	0.76	67	empty
2	342	0.65	0.80	33	BCN

Interfaces

1 interface between chains.

A–B · 268 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

3GQE · Crystal structure of macro domain of Venezuelan Equine Encephalitis virus · 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 P36328
Elsewhere: RCSB PDB 3GQE · PDBe 3GQE · UniProt P36328

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