2BW7
A novel mechanism for adenylyl cyclase inhibition from the crystal structure of its complex with catechol estrogen
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0009190 | biological_process | cyclic nucleotide biosynthetic process |
| A | 0035556 | biological_process | intracellular signal transduction |
| B | 0009190 | biological_process | cyclic nucleotide biosynthetic process |
| B | 0035556 | biological_process | intracellular signal transduction |
| C | 0009190 | biological_process | cyclic nucleotide biosynthetic process |
| C | 0035556 | biological_process | intracellular signal transduction |
| D | 0009190 | biological_process | cyclic nucleotide biosynthetic process |
| D | 0035556 | biological_process | intracellular signal transduction |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A2201 |
| Chain | Residue |
| A | ASP1017 |
| A | APC2200 |
| A | CA2202 |
| A | ECS2203 |
| B | HOH2036 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CA A2202 |
| Chain | Residue |
| A | MG2201 |
| A | ASP1017 |
| A | ILE1018 |
| A | ASP1061 |
| A | APC2200 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B2201 |
| Chain | Residue |
| A | HOH2047 |
| B | ASP1017 |
| B | APC2200 |
| B | CA2202 |
| B | ECS2203 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CA B2202 |
| Chain | Residue |
| B | ASP1017 |
| B | ILE1018 |
| B | ASP1061 |
| B | APC2200 |
| B | MG2201 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG C2201 |
| Chain | Residue |
| C | ASP1017 |
| C | HOH2017 |
| C | HOH2018 |
| C | APC2200 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CA C2202 |
| Chain | Residue |
| C | ASP1017 |
| C | ILE1018 |
| C | ASP1061 |
| C | APC2200 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG D2201 |
| Chain | Residue |
| D | ASP1017 |
| D | HOH2016 |
| D | HOH2022 |
| D | APC2200 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CA D2202 |
| Chain | Residue |
| D | ASP1017 |
| D | ILE1018 |
| D | ASP1061 |
| D | APC2200 |
| site_id | AC9 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE APC A2200 |
| Chain | Residue |
| A | ASP1017 |
| A | ILE1018 |
| A | VAL1019 |
| A | GLY1020 |
| A | PHE1021 |
| A | THR1022 |
| A | VAL1059 |
| A | GLY1060 |
| A | ASP1061 |
| A | ARG1117 |
| A | GLU1153 |
| A | MG2201 |
| A | CA2202 |
| A | ECS2203 |
| B | MET1064 |
| B | THR1139 |
| B | ALA1140 |
| B | ILE1141 |
| B | GLY1142 |
| B | PRO1143 |
| B | VAL1145 |
| B | ASN1146 |
| B | ECS2203 |
| site_id | BC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE ECS A2203 |
| Chain | Residue |
| A | ASP1017 |
| A | VAL1059 |
| A | ASN1146 |
| A | ALA1149 |
| A | ARG1150 |
| A | GLN1152 |
| A | GLU1153 |
| A | HOH2017 |
| A | HOH2047 |
| A | APC2200 |
| A | MG2201 |
| B | APC2200 |
| B | ECS2203 |
| site_id | BC2 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE APC B2200 |
| Chain | Residue |
| A | LYS1057 |
| A | MET1064 |
| A | THR1139 |
| A | ALA1140 |
| A | ILE1141 |
| A | GLY1142 |
| A | PRO1143 |
| A | VAL1145 |
| A | ASN1146 |
| A | HOH2047 |
| A | ECS2203 |
| B | ASP1017 |
| B | ILE1018 |
| B | VAL1019 |
| B | GLY1020 |
| B | PHE1021 |
| B | THR1022 |
| B | GLY1060 |
| B | ASP1061 |
| B | ARG1117 |
| B | HOH2034 |
| B | HOH2035 |
| B | MG2201 |
| B | CA2202 |
| B | ECS2203 |
| site_id | BC3 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE ECS B2203 |
| Chain | Residue |
| A | ECS2203 |
| B | ASP1017 |
| B | VAL1059 |
| B | ALA1062 |
| B | ASN1146 |
| B | ALA1149 |
| B | ARG1150 |
| B | GLN1152 |
| B | GLU1153 |
| B | HOH2036 |
| B | APC2200 |
| B | MG2201 |
| A | VAL1059 |
| A | APC2200 |
| site_id | BC4 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE APC C2200 |
| Chain | Residue |
| C | ASP1017 |
| C | ILE1018 |
| C | VAL1019 |
| C | GLY1020 |
| C | PHE1021 |
| C | THR1022 |
| C | VAL1059 |
| C | GLY1060 |
| C | ASP1061 |
| C | ARG1117 |
| C | HOH2018 |
| C | HOH2030 |
| C | HOH2031 |
| C | HOH2032 |
| C | MG2201 |
| C | CA2202 |
| D | LYS1057 |
| D | MET1064 |
| D | THR1139 |
| D | ALA1140 |
| D | VAL1145 |
| D | ASN1146 |
| D | ALA1149 |
| D | ARG1150 |
| site_id | BC5 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE APC D2200 |
| Chain | Residue |
| C | LYS1057 |
| C | MET1064 |
| C | THR1139 |
| C | ALA1140 |
| C | VAL1145 |
| C | ASN1146 |
| C | ARG1150 |
| D | ASP1017 |
| D | ILE1018 |
| D | VAL1019 |
| D | GLY1020 |
| D | PHE1021 |
| D | THR1022 |
| D | VAL1059 |
| D | GLY1060 |
| D | ASP1061 |
| D | ARG1117 |
| D | HOH2012 |
| D | HOH2022 |
| D | HOH2023 |
| D | HOH2024 |
| D | MG2201 |
| D | CA2202 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ab8 |
| Chain | Residue | Details |
| A | ARG1150 |
| site_id | CSA2 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ab8 |
| Chain | Residue | Details |
| B | ARG1150 |
| site_id | CSA3 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ab8 |
| Chain | Residue | Details |
| C | ARG1150 |
| site_id | CSA4 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ab8 |
| Chain | Residue | Details |
| D | ARG1150 |
