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2A9K

Crystal structure of the C3bot-NAD-RalA complex reveals a novel type of action of a bacterial exoenzyme

Functional Information from GO Data
ChainGOidnamespacecontents
A0003924molecular_functionGTPase activity
A0005525molecular_functionGTP binding
A0007165biological_processsignal transduction
A0016020cellular_componentmembrane
B0005576cellular_componentextracellular region
B0016757molecular_functionglycosyltransferase activity
B0016763molecular_functionpentosyltransferase activity
B0016779molecular_functionnucleotidyltransferase activity
B1990404molecular_functionNAD+-protein ADP-ribosyltransferase activity
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 300
ChainResidue
ASER28
AGDP500
AHOH508
AHOH519
AHOH526
AHOH593

site_idAC2
Number of Residues23
DetailsBINDING SITE FOR RESIDUE GDP A 500
ChainResidue
ALYS27
ASER28
AALA29
AGLU41
AASP42
AASN127
ALYS128
AASP130
ALEU131
ASER157
AALA158
ALYS159
AMG300
AHOH504
AHOH507
AHOH508
AHOH519
AHOH523
AHOH526
AHOH579
AGLY24
AVAL25
AGLY26

site_idAC3
Number of Residues25
DetailsBINDING SITE FOR RESIDUE NAD B 400
ChainResidue
BTHR80
BALA83
BSER84
BASN87
BARG91
BARG128
BGLY129
BASP130
BASP131
BALA133
BTYR134
BARG167
BGLU169
BSER174
BTHR175
BPHE183
BARG186
BGLN212
BGLU214
BHOH414
BHOH424
BHOH461
BHOH498
BHOH499
BHOH500

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU01340
ChainResidueDetails
BARG128
BSER174
BGLU214

site_idSWS_FT_FI2
Number of Residues7
DetailsBINDING: BINDING => ECO:0000269|PubMed:12029083, ECO:0000269|PubMed:16177825
ChainResidueDetails
BTHR80
BASN87
BARG91
BARG128
BARG167
BPHE183
BGLN212

site_idSWS_FT_FI3
Number of Residues1
DetailsSITE: Transition state stabilizer
ChainResidueDetails
BGLU214

Catalytic Information from CSA
site_idCSA1
Number of Residues1
DetailsAnnotated By Reference To The Literature 1ksj
ChainResidueDetails
AGLN72

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

site_idMCSA1
Number of Residues2
DetailsM-CSA 824
ChainResidueDetails
BSER174electrostatic stabiliser, polar interaction
BGLU214electrostatic stabiliser, polar interaction, proton acceptor, proton donor

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PDB entries from 2024-07-24

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