3WQL
Crystal structure of Rv3378c with Mg2+ and PPi
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0016102 | biological_process | diterpenoid biosynthetic process |
| A | 0016740 | molecular_function | transferase activity |
| A | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| A | 0016791 | molecular_function | phosphatase activity |
| A | 0035440 | biological_process | tuberculosinol biosynthetic process |
| A | 0062204 | molecular_function | (13S)-vitexifolin A synthase activity |
| B | 0016102 | biological_process | diterpenoid biosynthetic process |
| B | 0016740 | molecular_function | transferase activity |
| B | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| B | 0016791 | molecular_function | phosphatase activity |
| B | 0035440 | biological_process | tuberculosinol biosynthetic process |
| B | 0062204 | molecular_function | (13S)-vitexifolin A synthase activity |
| C | 0016102 | biological_process | diterpenoid biosynthetic process |
| C | 0016740 | molecular_function | transferase activity |
| C | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| C | 0016791 | molecular_function | phosphatase activity |
| C | 0035440 | biological_process | tuberculosinol biosynthetic process |
| C | 0062204 | molecular_function | (13S)-vitexifolin A synthase activity |
| D | 0016102 | biological_process | diterpenoid biosynthetic process |
| D | 0016740 | molecular_function | transferase activity |
| D | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| D | 0016791 | molecular_function | phosphatase activity |
| D | 0035440 | biological_process | tuberculosinol biosynthetic process |
| D | 0062204 | molecular_function | (13S)-vitexifolin A synthase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 301 |
| Chain | Residue |
| A | PRO32 |
| A | ASP34 |
| A | GLY206 |
| A | PHE207 |
| A | HOH425 |
| A | HOH546 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG A 302 |
| Chain | Residue |
| A | HOH546 |
| A | PHE207 |
| A | ARG209 |
| A | SER211 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 301 |
| Chain | Residue |
| B | PRO32 |
| B | ASP34 |
| B | GLY206 |
| B | PHE207 |
| B | HOH413 |
| B | HOH465 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 302 |
| Chain | Residue |
| B | PHE207 |
| B | ARG209 |
| B | SER211 |
| B | HOH427 |
| B | HOH465 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG C 301 |
| Chain | Residue |
| C | PRO32 |
| C | ASP34 |
| C | GLY206 |
| C | PHE207 |
| C | HOH433 |
| C | HOH504 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG C 302 |
| Chain | Residue |
| C | PHE207 |
| C | ARG209 |
| C | SER211 |
| C | HOH504 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG D 301 |
| Chain | Residue |
| D | PRO32 |
| D | ASP34 |
| D | GLY206 |
| D | PHE207 |
| D | HOH483 |
| D | HOH485 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG D 302 |
| Chain | Residue |
| D | PHE207 |
| D | ARG209 |
| D | SER211 |
| D | HOH485 |
| D | HOH666 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 954 |
| Chain | Residue | Details |
| A | ASP34 | metal ligand |
| A | ARG38 | proton acceptor, proton donor |
| A | TYR51 | proton acceptor, proton donor |
| site_id | MCSA2 |
| Number of Residues | 2 |
| Details | M-CSA 955 |
| Chain | Residue | Details |
| A | ASP34 | metal ligand |
| A | TYR51 | proton acceptor, proton donor |
| site_id | MCSA3 |
| Number of Residues | 4 |
| Details | M-CSA 954 |
| Chain | Residue | Details |
| B | ASP34 | metal ligand |
| B | ARG38 | proton acceptor, proton donor |
| B | TYR51 | proton acceptor, proton donor |
| B | TYR90 | activator, proton acceptor, proton donor |
| site_id | MCSA4 |
| Number of Residues | 2 |
| Details | M-CSA 955 |
| Chain | Residue | Details |
| B | ASP34 | metal ligand |
| B | TYR51 | proton acceptor, proton donor |
| site_id | MCSA5 |
| Number of Residues | 3 |
| Details | M-CSA 954 |
| Chain | Residue | Details |
| C | ASP34 | metal ligand |
| C | ARG38 | proton acceptor, proton donor |
| C | TYR51 | proton acceptor, proton donor |
| site_id | MCSA6 |
| Number of Residues | 2 |
| Details | M-CSA 955 |
| Chain | Residue | Details |
| C | ASP34 | metal ligand |
| C | TYR51 | proton acceptor, proton donor |
| site_id | MCSA7 |
| Number of Residues | 3 |
| Details | M-CSA 954 |
| Chain | Residue | Details |
| D | ASP34 | metal ligand |
| D | ARG38 | proton acceptor, proton donor |
| D | TYR51 | proton acceptor, proton donor |
| site_id | MCSA8 |
| Number of Residues | 2 |
| Details | M-CSA 955 |
| Chain | Residue | Details |
| D | ASP34 | metal ligand |
| D | TYR51 | proton acceptor, proton donor |
