4R8H
The role of protein-ligand contacts in allosteric regulation of the Escherichia coli Catabolite Activator Protein
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003677 | molecular_function | DNA binding |
| A | 0003680 | molecular_function | minor groove of adenine-thymine-rich DNA binding |
| A | 0003700 | molecular_function | DNA-binding transcription factor activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005829 | cellular_component | cytosol |
| A | 0006351 | biological_process | DNA-templated transcription |
| A | 0006355 | biological_process | regulation of DNA-templated transcription |
| A | 0008301 | molecular_function | DNA binding, bending |
| A | 0030552 | molecular_function | cAMP binding |
| A | 0032993 | cellular_component | protein-DNA complex |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0043565 | molecular_function | sequence-specific DNA binding |
| A | 0045013 | biological_process | carbon catabolite repression of transcription |
| A | 0045892 | biological_process | negative regulation of DNA-templated transcription |
| A | 0045893 | biological_process | positive regulation of DNA-templated transcription |
| B | 0003677 | molecular_function | DNA binding |
| B | 0003680 | molecular_function | minor groove of adenine-thymine-rich DNA binding |
| B | 0003700 | molecular_function | DNA-binding transcription factor activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005829 | cellular_component | cytosol |
| B | 0006351 | biological_process | DNA-templated transcription |
| B | 0006355 | biological_process | regulation of DNA-templated transcription |
| B | 0008301 | molecular_function | DNA binding, bending |
| B | 0030552 | molecular_function | cAMP binding |
| B | 0032993 | cellular_component | protein-DNA complex |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0043565 | molecular_function | sequence-specific DNA binding |
| B | 0045013 | biological_process | carbon catabolite repression of transcription |
| B | 0045892 | biological_process | negative regulation of DNA-templated transcription |
| B | 0045893 | biological_process | positive regulation of DNA-templated transcription |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE SP1 A 301 |
| Chain | Residue |
| A | VAL50 |
| A | ALA85 |
| A | ARG124 |
| A | THR128 |
| A | HOH402 |
| A | HOH405 |
| B | LEU125 |
| B | SER129 |
| A | SER63 |
| A | ILE71 |
| A | GLY72 |
| A | GLU73 |
| A | LEU74 |
| A | GLY75 |
| A | ARG83 |
| A | SER84 |
| site_id | AC2 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE SP1 A 302 |
| Chain | Residue |
| A | LYS58 |
| A | GLU59 |
| A | GLN171 |
| A | GLY174 |
| A | GLN175 |
| A | GLY178 |
| A | CYS179 |
| A | SER180 |
| A | ARG181 |
| A | HOH491 |
| A | HOH510 |
| B | ALA136 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 303 |
| Chain | Residue |
| A | TYR64 |
| A | LYS131 |
| A | ASN150 |
| A | GLN154 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 304 |
| Chain | Residue |
| A | GLN108 |
| A | HOH424 |
| B | LYS189 |
| B | MET190 |
| B | ASP193 |
| site_id | AC5 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE GOL A 305 |
| Chain | Residue |
| A | GLN105 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 306 |
| Chain | Residue |
| A | ASP69 |
| A | GLN120 |
| A | ARG123 |
| A | ARG124 |
| A | HOH411 |
| A | HOH493 |
| A | HOH531 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 307 |
| Chain | Residue |
| A | LYS131 |
| A | ASN134 |
| A | ILE176 |
| A | HOH416 |
| site_id | AC8 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE SP1 B 301 |
| Chain | Residue |
| A | LEU125 |
| A | SER129 |
| B | VAL50 |
| B | SER63 |
| B | ILE71 |
| B | GLY72 |
| B | GLU73 |
| B | LEU74 |
| B | GLY75 |
| B | ARG83 |
| B | SER84 |
| B | ALA85 |
| B | ARG124 |
| B | THR128 |
| B | HOH403 |
| B | HOH406 |
| site_id | AC9 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SP1 B 302 |
| Chain | Residue |
| B | LYS58 |
| B | GLU59 |
| B | GLN171 |
| B | GLY174 |
| B | GLN175 |
| B | GLY178 |
| B | CYS179 |
| B | SER180 |
| B | ARG181 |
| B | HOH466 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL B 303 |
| Chain | Residue |
| B | LYS131 |
| B | LEU151 |
| B | HOH429 |
| B | HOH473 |
| site_id | BC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 304 |
| Chain | Residue |
| B | LYS131 |
| B | ASN134 |
| B | ARG143 |
| B | THR147 |
| B | ILE176 |
| B | HOH404 |
| B | HOH473 |
Functional Information from PROSITE/UniProt
| site_id | PS00042 |
| Number of Residues | 24 |
| Details | HTH_CRP_1 Crp-type HTH domain signature. ITRqeIGqIVGcSreTv.GRiLkmL |
| Chain | Residue | Details |
| A | ILE168-LEU191 |
| site_id | PS00888 |
| Number of Residues | 17 |
| Details | CNMP_BINDING_1 Cyclic nucleotide-binding domain signature 1. LIhQGEkAEtLYYIvkG |
| Chain | Residue | Details |
| A | LEU30-GLY46 |
| site_id | PS00889 |
| Number of Residues | 19 |
| Details | CNMP_BINDING_2 Cyclic nucleotide-binding domain signature 2. IGElGLfeegqe.....RSAwVrA |
| Chain | Residue | Details |
| A | ILE71-ALA89 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 12 |
| Details | DNA_BIND: H-T-H motif => ECO:0000255|PROSITE-ProRule:PRU00387 |
| Chain | Residue | Details |
| A | SER180-ARG186 | |
| B | SER180-ARG186 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11124031, ECO:0000269|PubMed:12202833, ECO:0000269|PubMed:1653449, ECO:0000269|PubMed:2828639, ECO:0000269|PubMed:6286624, ECO:0000269|PubMed:8757802 |
| Chain | Residue | Details |
| A | GLY57 | |
| B | THR128 | |
| B | ALA136 | |
| B | GLN171 | |
| A | GLY72 | |
| A | ARG83 | |
| A | THR128 | |
| A | ALA136 | |
| A | GLN171 | |
| B | GLY57 | |
| B | GLY72 | |
| B | ARG83 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | SITE: Activating region 2 (AR2); probably contacts the N-terminus of RpoA => ECO:0000269|PubMed:8978616 |
| Chain | Residue | Details |
| A | GLU97 | |
| B | GLU97 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | SITE: Activating region 2 (AR2); probably contacts the N-terminus of RpoA => ECO:0000269|PubMed:15520470, ECO:0000269|PubMed:8978616 |
| Chain | Residue | Details |
| A | LYS102 | |
| B | LYS102 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:18723842 |
| Chain | Residue | Details |
| A | LYS101 | |
| B | LYS101 |
