MolNFT v1 · #187567 · protein

Pertussis toxin in complex with adpr and nicotinamide

7SKK: “Pertussis toxin in complex with adpr and nicotinamide”. X-ray diffraction, 3 ligands (NCA, AR6, SO4). MolNFT v1 #187567 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7SKK
Type: protein
Length: 720 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P04977
Ligands: NCA, AR6, SO4

Structure

x-ray diffraction · 3 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	—	protein	180	—	P04977
C	—	protein	179	—	P04977
D	—	protein	181	—	P04977

Ligands and binding sites

NCA · Nicotinamide · ligand · 4 copies · chains A, B, C, D
AR6 · [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate · ligand · 4 copies · chains A, B, C, D
SO4 · Sulfate ion · ion · 5 copies · chains B, C, A, D

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

Compared structures

7SKK · pertussis toxin in complex with ADPR and Nicotinamide · the same entry in another collection · chain A against A, TM-score 1.00
P04977 · AlphaFold monomer V2.0 prediction for pertussis toxin subunit 1 (P04977) · a predicted model of the same protein · chain A against A, TM-score 0.90

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 P04977
Elsewhere: RCSB PDB 7SKK · PDBe 7SKK · UniProt P04977

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