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

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: 1GIQ
Type: protein
Length: 822 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Iota toxin component ia
UniProt: Q46220
Ligands: NAI
Pockets: 9 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Iota toxin component ia	protein	411	36% helix, 28% strand	Q46220

Ligands and binding sites

NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · 2 copies · chains A, B

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

Pockets

9 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	417	0.61	0.76	51	empty
2	317	0.55	0.76	35	empty
3	189	0.52	0.78	27	NAI
4	197	0.52	0.77	29	empty
5	184	0.49	0.76	30	NAI

Interfaces

1 interface between chains.

A–B · 292 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

1GIQ · 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 1GIQ · PDBe 1GIQ · UniProt Q46220

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