MolNFT v1 · #116046 · protein

Anthrax toxin lethal factor with hydroxamic acid inhibitor

5D1S: “Anthrax toxin lethal factor with hydroxamic acid inhibitor”. X-ray diffraction, 2 ligands (56Q, ZN), 3 pockets (best druggability 0.79). MolNFT v1 #116046 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5D1S
Type: protein
Length: 507 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lethal factor
EC: 3.4.24.83
UniProt: P15917
Ligands: 56Q, ZN
Pockets: 3 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lethal factor (EC 3.4.24.83)	protein	507	51% helix, 14% strand	P15917

Ligands and binding sites

56Q · N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-methyl-D-alaninamide · ligand · chains A
ZN · Zinc ion · metal · chains A

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

Pockets

3 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	1172	0.79	0.80	111	56Q, ZN
2	145	0.49	0.78	18	empty
3	51	0.27	0.74	22	empty

Compared structures

5D1S · Anthrax toxin lethal factor with hydroxamic acid inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
P15917 · AlphaFold monomer V2.0 prediction for lethal factor (P15917) · a predicted model of the same protein · chain A against A, TM-score 0.95

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 P15917
Elsewhere: RCSB PDB 5D1S · PDBe 5D1S · UniProt P15917

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