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2C8H

Structure of the PN loop Q182A mutant C3bot1 Exoenzyme (NAD-bound state, crystal form I)

Functional Information from GO Data
ChainGOidnamespacecontents
A0005576cellular_componentextracellular region
A0016763molecular_functionpentosyltransferase activity
A1990404molecular_functionNAD+-protein mono-ADP-ribosyltransferase activity
B0005576cellular_componentextracellular region
B0016763molecular_functionpentosyltransferase activity
B1990404molecular_functionNAD+-protein mono-ADP-ribosyltransferase activity
C0005576cellular_componentextracellular region
C0016763molecular_functionpentosyltransferase activity
C1990404molecular_functionNAD+-protein mono-ADP-ribosyltransferase activity
D0005576cellular_componentextracellular region
D0016763molecular_functionpentosyltransferase activity
D1990404molecular_functionNAD+-protein mono-ADP-ribosyltransferase activity
Functional Information from PDB Data
site_idAC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A1249
ChainResidue
ALYS56
AASP204
AALA210
AGLY211
AHOH2189
AHOH2192
AHOH2230
CLYS251

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A1250
ChainResidue
AARG186
CHIS220
AASP131

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B1251
ChainResidue
BASN51
BILE52
BARG229
BSER231
BSER232
BHOH2146
BHOH2147

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 C1252
ChainResidue
CSER84
CARG128
CARG186

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 D1248
ChainResidue
DARG128
DSER174
DARG186

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 D1249
ChainResidue
DARG91
DARG167
DGLU169
DHOH2119
DHOH2179
DHOH2180

site_idAC7
Number of Residues25
DetailsBINDING SITE FOR RESIDUE NAD A1248
ChainResidue
ATHR80
ASER84
AASN87
AARG91
AARG128
AGLY129
AASP130
AASP131
AALA133
AARG167
AGLU169
ASER174
ATHR175
ASER176
APHE183
AARG186
AGLN212
AGLU214
AHOH2173
AHOH2174
AHOH2196
AHOH2225
AHOH2226
AHOH2227
AHOH2229

site_idAC8
Number of Residues23
DetailsBINDING SITE FOR RESIDUE NAD B1250
ChainResidue
BTHR80
BSER84
BASN87
BARG91
BARG128
BGLY129
BASP130
BASP131
BALA133
BARG167
BGLU169
BSER174
BTHR175
BPHE183
BARG186
BPHE209
BGLY211
BGLU214
BHOH2022
BHOH2105
BHOH2142
BHOH2143
BHOH2144

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues796
DetailsDomain: {"description":"TR mART core","evidences":[{"source":"PROSITE-ProRule","id":"PRU01340","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues12
DetailsActive site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01340","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues52
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"12029083","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16177825","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues4
DetailsSite: {"description":"Transition state stabilizer"}
ChainResidueDetails

Catalytic Information from CSA
site_idCSA1
Number of Residues1
DetailsAnnotated By Reference To The Literature 1g24
ChainResidueDetails
AGLU214

site_idCSA2
Number of Residues1
DetailsAnnotated By Reference To The Literature 1g24
ChainResidueDetails
BGLU214

site_idCSA3
Number of Residues1
DetailsAnnotated By Reference To The Literature 1g24
ChainResidueDetails
CGLU214

site_idCSA4
Number of Residues1
DetailsAnnotated By Reference To The Literature 1g24
ChainResidueDetails
DGLU214

site_idMCSA1
Number of Residues2
DetailsM-CSA 824
ChainResidueDetails
ASER174electrostatic stabiliser, polar interaction
AGLU214electrostatic stabiliser, polar interaction, proton acceptor, proton donor

site_idMCSA2
Number of Residues2
DetailsM-CSA 824
ChainResidueDetails
BSER174electrostatic stabiliser, polar interaction
BGLU214electrostatic stabiliser, polar interaction, proton acceptor, proton donor

site_idMCSA3
Number of Residues2
DetailsM-CSA 824
ChainResidueDetails
CSER174electrostatic stabiliser, polar interaction
CGLU214electrostatic stabiliser, polar interaction, proton acceptor, proton donor

site_idMCSA4
Number of Residues2
DetailsM-CSA 824
ChainResidueDetails
DSER174electrostatic stabiliser, polar interaction
DGLU214electrostatic stabiliser, polar interaction, proton acceptor, proton donor

238895

数据于2025-07-16公开中

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