MolNFT v1 · #166503 · protein

Crystal structure of ricin a chain in complex with inhibitor 4-(2- THIENYLMETHYL)BENZOIC acid

6URW: “Crystal structure of ricin a chain in complex with inhibitor 4-(2- THIENYLMETHYL)BENZOIC acid”. X-ray diffraction, 1 ligand (R7T), 2 pockets (best druggability 0.57). MolNFT v1 #166503 on GenesisL1: 3D structure, binding sites and…

PDB: 6URW
Type: protein
Length: 260 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: R7T
Pockets: 2 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ricin (EC 3.2.2.22)	protein	260	40% helix, 22% strand	P02879

Ligands and binding sites

R7T · 4-[(thiophen-2-yl)methyl]benzoic acid · ligand · chains A
EDO · 1,2-ethanediol · additive · 22 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	272	0.57	0.77	33	EDO
2	66	0.35	0.77	22	empty

Compared structures

6URW · Crystal structure of ricin A chain in complex with inhibitor 4-(2-thienylmethyl)benzoic… · 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 6URW · PDBe 6URW · UniProt P02879

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