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Structure of ricin a chain bound with 2-amino-4-oxo-N-(2-(3- PHENYLUREIDO)ETHYL)-3,4-dihydropteridine-7-carboxamide

Analyse Structure of ricin a chain bound with 2-amino-4-oxo-N-(2-(3… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4MX1
Type: protein
Length: 268 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ricin a chain
EC: 3.2.2.22
UniProt: P02879
Ligands: 1MX, SO4
Pockets: 4 · best druggability 0.64

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ricin a chain (EC 3.2.2.22)	protein	268	40% helix, 21% strand	P02879

Ligands and binding sites

1MX · 2-amino-4-oxo-N-{2-[(phenylcarbamoyl)amino]ethyl}-3,4-dihydropteridine-7-carboxamide · ligand · chains A
SO4 · Sulfate ion · ion · chains A
MLA · Malonic acid · additive · 2 copies · chains A

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

Pockets

4 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	245	0.64	0.82	35	1MX
2	62	0.43	0.81	13	MLA
3	129	0.42	0.75	18	empty
4	59	0.30	0.75	15	empty

Compared structures

4MX1 · Structure of ricin A chain bound with 2-amino-4-oxo-N-(2-(3-phenylureido)ethyl)-3,4-dihydr… · 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 4MX1 · PDBe 4MX1 · UniProt P02879

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