Structure of PDB 4ae1 Chain A

Receptor sequence

>4ae1A (length=501) Species: 1717 (Corynebacterium diphtheriae)

GADDVVDSSKSFVMENFSSYHGTKPGYVDSIQKGIQKKEFYSTDNKYDAA
GYSVDNENPLSGKAGGVVKVTYPGLTKVLALKVDNAETIKKELGLSLTEP
LMEQVGTEEFIKRFGDGASRVVLSLPFAEGSSSVEYINNWEQAKALSVEL
EINFETRGKRGQDAMYEYMAQACASCINLDWDVIRDKTKTKIESLKEHGP
IKNKMSESPNKTVSEEKAKQYLEEFHQTALEHPELSELKTVTGTNPVFAG
ANYAAWAVNVAQVIDSETADNLEKTTAALSILPGIGSVMGIADGAVHHNT
EEIVAQSIALSSLMVAQAIPLVGEGFAAYNFVESIINLFQVVHNSYNRPA
YSPGHKTQPFLHDGYAVSWNTVEDSIIRTGFQGESGHDIKITAENTPLPI
AGVLLPTIPGKLDVNKSKTHISVNGRKIRMRCRAIDGDVTFCRPKSPVYV
GNGVHANLHVAFHRSSSEKIHSISSDSIGVLGYQKHTKVNSKLSLFFEIK
S

3D structure

• PDB: 4ae1 Structural Basis for Lack of Toxicity of the Diphtheria Toxin Mutant Crm197.
• Chain: A
• Resolution: 2.078 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): E148
• Catalytic site (residue number reindexed from 1): E135
• Enzyme Commision number: 2.4.2.36: NAD(+)--diphthamide ADP-ribosyltransferase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	NCA	A	H21 G22 Y54 Y65	H21 G22 Y41 Y52

Gene Ontology

Molecular Function

• GO:0008320 protein transmembrane transporter activity
• GO:0016757 glycosyltransferase activity
• GO:0016779 nucleotidyltransferase activity
• GO:0042802 identical protein binding
• GO:0047286 NAD+-diphthamide ADP-ribosyltransferase activity
• GO:0090729 toxin activity

Biological Process

• GO:0035821 modulation of process of another organism
• GO:0071806 protein transmembrane transport

Cellular Component

• GO:0005576 extracellular region
• GO:0005615 extracellular space
• GO:0005886 plasma membrane

External links

• PDB: RCSB:4ae1, PDBe:4ae1, PDBj:4ae1
• PDBsum: 4ae1
• PubMed: 22431623
• UniProt: P00588|DTX_CORBE Diphtheria toxin