3ZWY
Crystal structure of ADP-ribosyl cyclase complexed with 8-bromo-ADP- ribose and cyclic 8-bromo-cyclic-ADP-ribose
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0007338 | biological_process | single fertilization |
| A | 0016020 | cellular_component | membrane |
| A | 0016740 | molecular_function | transferase activity |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0016849 | molecular_function | phosphorus-oxygen lyase activity |
| A | 0031410 | cellular_component | cytoplasmic vesicle |
| A | 0061809 | molecular_function | NAD+ nucleosidase activity, cyclic ADP-ribose generating |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0007338 | biological_process | single fertilization |
| B | 0016020 | cellular_component | membrane |
| B | 0016740 | molecular_function | transferase activity |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0016849 | molecular_function | phosphorus-oxygen lyase activity |
| B | 0031410 | cellular_component | cytoplasmic vesicle |
| B | 0061809 | molecular_function | NAD+ nucleosidase activity, cyclic ADP-ribose generating |
| C | 0005886 | cellular_component | plasma membrane |
| C | 0007338 | biological_process | single fertilization |
| C | 0016020 | cellular_component | membrane |
| C | 0016740 | molecular_function | transferase activity |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0016849 | molecular_function | phosphorus-oxygen lyase activity |
| C | 0031410 | cellular_component | cytoplasmic vesicle |
| C | 0061809 | molecular_function | NAD+ nucleosidase activity, cyclic ADP-ribose generating |
| D | 0005886 | cellular_component | plasma membrane |
| D | 0007338 | biological_process | single fertilization |
| D | 0016020 | cellular_component | membrane |
| D | 0016740 | molecular_function | transferase activity |
| D | 0016787 | molecular_function | hydrolase activity |
| D | 0016849 | molecular_function | phosphorus-oxygen lyase activity |
| D | 0031410 | cellular_component | cytoplasmic vesicle |
| D | 0061809 | molecular_function | NAD+ nucleosidase activity, cyclic ADP-ribose generating |
| E | 0005886 | cellular_component | plasma membrane |
| E | 0007338 | biological_process | single fertilization |
| E | 0016020 | cellular_component | membrane |
| E | 0016740 | molecular_function | transferase activity |
| E | 0016787 | molecular_function | hydrolase activity |
| E | 0016849 | molecular_function | phosphorus-oxygen lyase activity |
| E | 0031410 | cellular_component | cytoplasmic vesicle |
| E | 0061809 | molecular_function | NAD+ nucleosidase activity, cyclic ADP-ribose generating |
| F | 0005886 | cellular_component | plasma membrane |
| F | 0007338 | biological_process | single fertilization |
| F | 0016020 | cellular_component | membrane |
| F | 0016740 | molecular_function | transferase activity |
| F | 0016787 | molecular_function | hydrolase activity |
| F | 0016849 | molecular_function | phosphorus-oxygen lyase activity |
| F | 0031410 | cellular_component | cytoplasmic vesicle |
| F | 0061809 | molecular_function | NAD+ nucleosidase activity, cyclic ADP-ribose generating |
| G | 0005886 | cellular_component | plasma membrane |
| G | 0007338 | biological_process | single fertilization |
| G | 0016020 | cellular_component | membrane |
| G | 0016740 | molecular_function | transferase activity |
| G | 0016787 | molecular_function | hydrolase activity |
| G | 0016849 | molecular_function | phosphorus-oxygen lyase activity |
| G | 0031410 | cellular_component | cytoplasmic vesicle |
| G | 0061809 | molecular_function | NAD+ nucleosidase activity, cyclic ADP-ribose generating |
| H | 0005886 | cellular_component | plasma membrane |
| H | 0007338 | biological_process | single fertilization |
| H | 0016020 | cellular_component | membrane |
| H | 0016740 | molecular_function | transferase activity |
| H | 0016787 | molecular_function | hydrolase activity |
| H | 0016849 | molecular_function | phosphorus-oxygen lyase activity |
| H | 0031410 | cellular_component | cytoplasmic vesicle |
| H | 0061809 | molecular_function | NAD+ nucleosidase activity, cyclic ADP-ribose generating |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE AV1 A 1682 |
| Chain | Residue |
| A | TRP77 |
| A | PHE175 |
| A | GLU179 |
| A | HOH2041 |
| A | SER78 |
| A | GLY79 |
| A | LEU97 |
| A | GLU98 |
| A | ASN107 |
| A | SER108 |
| A | SER173 |
| A | PHE174 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE AV1 B 1682 |
| Chain | Residue |
| B | TRP77 |
| B | SER78 |
| B | GLY79 |
| B | LEU97 |
| B | ASN107 |
| B | SER108 |
| B | SER144 |
| B | ARG170 |
| B | PHE174 |
| B | PHE175 |
| B | GLU179 |
| site_id | AC3 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE AV1 C 1682 |
| Chain | Residue |
| C | PHE76 |
| C | TRP77 |
| C | SER78 |
| C | GLY79 |
| C | TYR81 |
| C | LEU97 |
| C | ASN107 |
| C | SER108 |
| C | SER144 |
| C | SER173 |
| C | PHE174 |
| C | PHE175 |
| C | GLU179 |
| site_id | AC4 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE CV1 D 303 |
| Chain | Residue |
| D | PHE76 |
| D | TRP77 |
| D | SER78 |
| D | GLY79 |
| D | LEU97 |
| D | GLU98 |
| D | ASN107 |
| D | TRP140 |
| D | SER144 |
| D | SER173 |
| D | PHE174 |
| D | GLU179 |
| D | HOH2052 |
| site_id | AC5 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE AV1 E 1682 |
| Chain | Residue |
| E | PHE76 |
| E | TRP77 |
| E | SER78 |
| E | GLY79 |
| E | TYR81 |
| E | LEU97 |
| E | SER144 |
| E | ARG170 |
| E | SER173 |
| E | PHE174 |
| E | PHE175 |
| E | GLU179 |
| E | HOH2021 |
| E | HOH2039 |
| E | HOH2049 |
| E | HOH2050 |
| site_id | AC6 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE AV1 F 1682 |
| Chain | Residue |
| F | PHE76 |
| F | TRP77 |
| F | SER78 |
| F | GLY79 |
| F | TYR81 |
| F | ASN107 |
| F | SER144 |
| F | ARG170 |
| F | SER173 |
| F | PHE174 |
| F | GLU179 |
| F | HOH2033 |
| H | ALA251 |
| site_id | AC7 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE AV1 G 1682 |
| Chain | Residue |
| G | PHE76 |
| G | TRP77 |
| G | SER78 |
| G | GLY79 |
| G | TYR81 |
| G | ASN107 |
| G | SER144 |
| G | ARG170 |
| G | SER173 |
| G | PHE174 |
| G | PHE175 |
| G | GLU179 |
| site_id | AC8 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE AV1 H 1682 |
| Chain | Residue |
| H | SER173 |
| H | PHE174 |
| H | PHE175 |
| H | GLU179 |
| H | HOH2013 |
| H | HOH2020 |
| H | HOH2021 |
| F | ALA251 |
| H | PHE76 |
| H | TRP77 |
| H | SER78 |
| H | GLY79 |
| H | TYR81 |
| H | LEU97 |
| H | ASN107 |
| H | SER144 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 607 |
| Chain | Residue | Details |
| A | GLU98 | electrostatic stabiliser |
| A | PHE174 | hydrophobic interaction |
| A | GLU179 | covalent catalysis, covalently attached, nucleophile |
| site_id | MCSA2 |
| Number of Residues | 3 |
| Details | M-CSA 607 |
| Chain | Residue | Details |
| B | GLU98 | electrostatic stabiliser |
| B | PHE174 | hydrophobic interaction |
| B | GLU179 | covalent catalysis, covalently attached, nucleophile |
| site_id | MCSA3 |
| Number of Residues | 3 |
| Details | M-CSA 607 |
| Chain | Residue | Details |
| C | GLU98 | electrostatic stabiliser |
| C | PHE174 | hydrophobic interaction |
| C | GLU179 | covalent catalysis, covalently attached, nucleophile |
| site_id | MCSA4 |
| Number of Residues | 3 |
| Details | M-CSA 607 |
| Chain | Residue | Details |
| D | GLU98 | electrostatic stabiliser |
| D | PHE174 | hydrophobic interaction |
| D | GLU179 | covalent catalysis, covalently attached, nucleophile |
| site_id | MCSA5 |
| Number of Residues | 3 |
| Details | M-CSA 607 |
| Chain | Residue | Details |
| E | GLU98 | electrostatic stabiliser |
| E | PHE174 | hydrophobic interaction |
| E | GLU179 | covalent catalysis, covalently attached, nucleophile |
| site_id | MCSA6 |
| Number of Residues | 3 |
| Details | M-CSA 607 |
| Chain | Residue | Details |
| F | GLU98 | electrostatic stabiliser |
| F | PHE174 | hydrophobic interaction |
| F | GLU179 | covalent catalysis, covalently attached, nucleophile |
| site_id | MCSA7 |
| Number of Residues | 3 |
| Details | M-CSA 607 |
| Chain | Residue | Details |
| G | GLU98 | electrostatic stabiliser |
| G | PHE174 | hydrophobic interaction |
| G | GLU179 | covalent catalysis, covalently attached, nucleophile |
| site_id | MCSA8 |
| Number of Residues | 3 |
| Details | M-CSA 607 |
| Chain | Residue | Details |
| H | GLU98 | electrostatic stabiliser |
| H | PHE174 | hydrophobic interaction |
| H | GLU179 | covalent catalysis, covalently attached, nucleophile |
