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4R8H

The role of protein-ligand contacts in allosteric regulation of the Escherichia coli Catabolite Activator Protein

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0003677molecular_functionDNA binding
A0003680molecular_functionminor groove of adenine-thymine-rich DNA binding
A0003700molecular_functionDNA-binding transcription factor activity
A0005515molecular_functionprotein binding
A0005829cellular_componentcytosol
A0006351biological_processDNA-templated transcription
A0006355biological_processregulation of DNA-templated transcription
A0008301molecular_functionDNA binding, bending
A0030552molecular_functioncAMP binding
A0032993cellular_componentprotein-DNA complex
A0042802molecular_functionidentical protein binding
A0043565molecular_functionsequence-specific DNA binding
A0045013biological_processcarbon catabolite repression of transcription
A0045892biological_processnegative regulation of DNA-templated transcription
A0045893biological_processpositive regulation of DNA-templated transcription
B0000166molecular_functionnucleotide binding
B0003677molecular_functionDNA binding
B0003680molecular_functionminor groove of adenine-thymine-rich DNA binding
B0003700molecular_functionDNA-binding transcription factor activity
B0005515molecular_functionprotein binding
B0005829cellular_componentcytosol
B0006351biological_processDNA-templated transcription
B0006355biological_processregulation of DNA-templated transcription
B0008301molecular_functionDNA binding, bending
B0030552molecular_functioncAMP binding
B0032993cellular_componentprotein-DNA complex
B0042802molecular_functionidentical protein binding
B0043565molecular_functionsequence-specific DNA binding
B0045013biological_processcarbon catabolite repression of transcription
B0045892biological_processnegative regulation of DNA-templated transcription
B0045893biological_processpositive regulation of DNA-templated transcription
Functional Information from PDB Data
site_idAC1
Number of Residues16
DetailsBINDING SITE FOR RESIDUE SP1 A 301
ChainResidue
AVAL50
AALA85
AARG124
ATHR128
AHOH402
AHOH405
BLEU125
BSER129
ASER63
AILE71
AGLY72
AGLU73
ALEU74
AGLY75
AARG83
ASER84

site_idAC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE SP1 A 302
ChainResidue
ALYS58
AGLU59
AGLN171
AGLY174
AGLN175
AGLY178
ACYS179
ASER180
AARG181
AHOH491
AHOH510
BALA136

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 303
ChainResidue
ATYR64
ALYS131
AASN150
AGLN154

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 304
ChainResidue
AGLN108
AHOH424
BLYS189
BMET190
BASP193

site_idAC5
Number of Residues1
DetailsBINDING SITE FOR RESIDUE GOL A 305
ChainResidue
AGLN105

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 306
ChainResidue
AASP69
AGLN120
AARG123
AARG124
AHOH411
AHOH493
AHOH531

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 307
ChainResidue
ALYS131
AASN134
AILE176
AHOH416

site_idAC8
Number of Residues16
DetailsBINDING SITE FOR RESIDUE SP1 B 301
ChainResidue
ALEU125
ASER129
BVAL50
BSER63
BILE71
BGLY72
BGLU73
BLEU74
BGLY75
BARG83
BSER84
BALA85
BARG124
BTHR128
BHOH403
BHOH406

site_idAC9
Number of Residues10
DetailsBINDING SITE FOR RESIDUE SP1 B 302
ChainResidue
BLYS58
BGLU59
BGLN171
BGLY174
BGLN175
BGLY178
BCYS179
BSER180
BARG181
BHOH466

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL B 303
ChainResidue
BLYS131
BLEU151
BHOH429
BHOH473

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 304
ChainResidue
BLYS131
BASN134
BARG143
BTHR147
BILE176
BHOH404
BHOH473

Functional Information from PROSITE/UniProt
site_idPS00042
Number of Residues24
DetailsHTH_CRP_1 Crp-type HTH domain signature. ITRqeIGqIVGcSreTv.GRiLkmL
ChainResidueDetails
AILE168-LEU191

site_idPS00888
Number of Residues17
DetailsCNMP_BINDING_1 Cyclic nucleotide-binding domain signature 1. LIhQGEkAEtLYYIvkG
ChainResidueDetails
ALEU30-GLY46

site_idPS00889
Number of Residues19
DetailsCNMP_BINDING_2 Cyclic nucleotide-binding domain signature 2. IGElGLfeegqe.....RSAwVrA
ChainResidueDetails
AILE71-ALA89

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues12
DetailsDNA binding: {"description":"H-T-H motif","evidences":[{"source":"PROSITE-ProRule","id":"PRU00387","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues4
DetailsRegion: {"description":"Activating region 2 (AR2); probably contacts the N-terminus of RpoA","evidences":[{"source":"PubMed","id":"8978616","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues12
DetailsRegion: {"description":"Activating region 3 (AR3); probably contacts sigma-70 (RpoD)","evidences":[{"source":"PubMed","id":"10860739","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10860740","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues18
DetailsRegion: {"description":"Activating region 1 (AR1); probably contacts the C-terminus of RpoA","evidences":[{"source":"PubMed","id":"7966284","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8392187","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues42
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"11124031","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12202833","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"1653449","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"2828639","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"6286624","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8757802","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI6
Number of Residues2
DetailsSite: {"description":"Activating region 2 (AR2); probably contacts the N-terminus of RpoA","evidences":[{"source":"PubMed","id":"8978616","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI7
Number of Residues2
DetailsSite: {"description":"Activating region 2 (AR2); probably contacts the N-terminus of RpoA","evidences":[{"source":"PubMed","id":"15520470","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8978616","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI8
Number of Residues2
DetailsModified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"18723842","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

239803

PDB entries from 2025-08-06

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