MolNFT v1 · #76039 · protein

Crystal structure of protective antigen W346F (pH 8.5)

3Q8E: “Crystal structure of protective antigen W346F (pH 8.5)”. X-ray diffraction, 1 ligand (CA), 8 pockets (best druggability 0.67). MolNFT v1 #76039 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3Q8E
Type: protein
Length: 688 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protective antigen
UniProt: P13423
Ligands: CA
Pockets: 8 · best druggability 0.67

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protective antigen	protein	688	16% helix, 35% strand	P13423

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A

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

Pockets

8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	583	0.67	0.77	69	empty
2	140	0.55	0.82	22	empty
3	107	0.54	0.83	23	empty
4	162	0.43	0.75	29	empty
5	134	0.41	0.75	27	empty

Compared structures

3Q8E · Crystal structure of Protective Antigen W346F (pH 8.5) · the same entry in another collection · chain A against A, TM-score 1.00
P13423 · AlphaFold monomer V2.0 prediction for protective antigen (P13423) · a predicted model of the same protein · 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 P13423
Elsewhere: RCSB PDB 3Q8E · PDBe 3Q8E · UniProt P13423

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