MolNFT v1 · #93429 · protein

Crystal structure of wild type protective antigen to 1.62 a (pH 7.5)

4H2A: “Crystal structure of wild type protective antigen to 1.62 a (pH 7.5)”. X-ray diffraction, 1 ligand (CA), 11 pockets (best druggability 0.67). MolNFT v1 #93429 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4H2A
Type: protein
Length: 704 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protective antigen
UniProt: P13423
Ligands: CA
Pockets: 11 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protective antigen	protein	704	16% helix, 34% strand	P13423

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A
EDO · 1,2-ethanediol · additive · 4 copies · chains A

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

Pockets

11 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	128	0.67	0.89	24	empty
2	477	0.65	0.78	45	empty
3	227	0.55	0.78	33	empty
4	253	0.52	0.76	33	EDO
5	120	0.46	0.78	28	empty

Compared structures

4H2A · Crystal structure of wild type protective antigen to 1.62 A (pH 7.5) · 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 0.99

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 4H2A · PDBe 4H2A · UniProt P13423

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