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Crystal structure of ricin a chain in complex with inhibitor 5-phenyl- 2-thiophenecarboxylic acid

Analyse Crystal structure of ricin a chain in complex with inhibitor 5-phenyl… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6URX
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: JMG
Pockets: 2 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ricin (EC 3.2.2.22)	protein	259	40% helix, 21% strand	P02879

Ligands and binding sites

JMG · 5-phenylthiophene-2-carboxylic acid · ligand · chains A
EDO · 1,2-ethanediol · additive · 15 copies · chains A
DMS · Dimethyl sulfoxide · additive · 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	264	0.58	0.78	34	empty
2	74	0.34	0.75	17	empty

Compared structures

6URX · Crystal structure of ricin A chain in complex with 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 6URX · PDBe 6URX · UniProt P02879

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