MolNFT v1 · #185284 · protein

High-resolution structure of native toxin a from clostridioides difficile

7POG: “High-resolution structure of native toxin a from clostridioides difficile”. Electron microscopy, 1 ligand (ZN), 20 pockets (best druggability 0.86). MolNFT v1 #185284 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7POG
Type: protein
Length: 2,382 residues
Chains: 1
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Toxin a
UniProt: M4NKU0
Ligands: ZN
Pockets: 20 · best druggability 0.86

Structure

electron microscopy · 1 distinct chain · 27% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Toxin a	protein	2382	27% helix, 26% strand	M4NKU0

Ligands and binding sites

ZN · Zinc ion · metal · chains A

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

Pockets

20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1000	0.86	0.86	111	empty
2	955	0.80	0.82	65	empty
3	149	0.79	0.96	34	empty
4	601	0.78	0.84	59	empty
5	420	0.73	0.83	40	empty

Compared structures

7POG · High-resolution structure of native toxin A from Clostridioides difficile · 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 M4NKU0
Elsewhere: RCSB PDB 7POG · PDBe 7POG · UniProt M4NKU0

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