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4AE1

Crystal structure of diphtheria toxin mutant CRM197 in complex with nicotinamide

Functional Information from GO Data
ChainGOidnamespacecontents
A0005576cellular_componentextracellular region
A0005615cellular_componentextracellular space
A0005886cellular_componentplasma membrane
A0008320molecular_functionprotein transmembrane transporter activity
A0016740molecular_functiontransferase activity
A0016757molecular_functionglycosyltransferase activity
A0016779molecular_functionnucleotidyltransferase activity
A0035821biological_processmodulation of process of another organism
A0042802molecular_functionidentical protein binding
A0047286molecular_functionNAD+-diphthamide ADP-ribosyltransferase activity
A0071806biological_processprotein transmembrane transport
A0090729molecular_functiontoxin activity
B0005576cellular_componentextracellular region
B0005615cellular_componentextracellular space
B0005886cellular_componentplasma membrane
B0008320molecular_functionprotein transmembrane transporter activity
B0016740molecular_functiontransferase activity
B0016757molecular_functionglycosyltransferase activity
B0016779molecular_functionnucleotidyltransferase activity
B0035821biological_processmodulation of process of another organism
B0042802molecular_functionidentical protein binding
B0047286molecular_functionNAD+-diphthamide ADP-ribosyltransferase activity
B0071806biological_processprotein transmembrane transport
B0090729molecular_functiontoxin activity
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NCA B 1536
ChainResidue
BHIS21
BGLY22
BTYR54
BTYR65
BGLU148

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NCA A 1536
ChainResidue
AHIS21
AGLY22
ATYR65
AGLU148

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsActive site: {}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues4
DetailsBinding site: {}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsSite: {"description":"Modification inactivates enzyme"}
ChainResidueDetails

Catalytic Information from CSA
site_idMCSA1
Number of Residues1
DetailsM-CSA 773
ChainResidueDetails
AGLU148electrostatic stabiliser

site_idMCSA2
Number of Residues1
DetailsM-CSA 773
ChainResidueDetails
BGLU148electrostatic stabiliser

246031

PDB entries from 2025-12-10

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