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Crystal structure of anthrax protective antigen (membrane insertion loop deleted) to 1.45-a resolution

Analyse Crystal structure of anthrax protective antigen (membrane insertion loop… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3TEW
Type: protein
Length: 701 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protective antigen
Ligands: CA
Pockets: 10 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protective antigen	protein	701	16% helix, 35% strand	—

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A
MXE · 2-methoxyethanol · additive · 3 copies · chains A

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

Pockets

10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	643	0.68	0.77	68	MXE
2	145	0.65	0.87	34	empty
3	110	0.60	0.86	25	empty
4	232	0.50	0.75	35	MXE
5	149	0.44	0.75	25	empty

Compared structures

3TEW · Crystal Structure of Anthrax Protective Antigen (Membrane Insertion Loop Deleted) to… · 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
Elsewhere: RCSB PDB 3TEW · PDBe 3TEW

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