MolNFT v1 · #104181 · protein

Crystal structure of ricin a chain complexed with baicalin inhibitor

4Q2V: “Crystal structure of ricin a chain complexed with baicalin inhibitor”. X-ray diffraction, 1 ligand (0XE), 2 pockets (best druggability 0.55). MolNFT v1 #104181 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4Q2V
Type: protein
Length: 259 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ricin
EC: 3.2.2.22
UniProt: P02879
Ligands: 0XE
Pockets: 2 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ricin (EC 3.2.2.22)	protein	259	40% helix, 24% strand	P02879

Ligands and binding sites

0XE · 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	213	0.55	0.78	30	empty
2	50	0.37	0.80	13	empty

Compared structures

4Q2V · Crystal Structure of Ricin A chain complexed with Baicalin inhibitor · 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 P02879
Elsewhere: RCSB PDB 4Q2V · PDBe 4Q2V · UniProt P02879

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