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Crystal structure of the enzymatic componet of iota-toxin from clostridium perfringens with NADPH

Analyse Crystal structure of the enzymatic componet of iota-toxin from clostridium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1GIR
Type: protein
Length: 411 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Iota toxin component ia
UniProt: Q46220
Ligands: NDP
Pockets: 4 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Iota toxin component ia	protein	411	37% helix, 27% strand	Q46220

Ligands and binding sites

NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	259	0.56	0.77	34	NDP
2	268	0.52	0.75	30	empty
3	139	0.43	0.75	19	empty
4	72	0.39	0.79	15	empty

Compared structures

1GIR · Crystal structure of the enzymatic componet of iota-toxin from clostridium perfringens… · 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 Q46220
Elsewhere: RCSB PDB 1GIR · PDBe 1GIR · UniProt Q46220

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