4CMX
Crystal structure of Rv3378c
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 | 0052572 | biological_process | response to host immune response |
| 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 | 0052572 | biological_process | response to host immune response |
| B | 0062204 | molecular_function | (13S)-vitexifolin A synthase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE BHC A 1297 |
| Chain | Residue |
| A | ARG37 |
| B | ARG89 |
| B | TYR90 |
| B | LYS256 |
| B | PRO257 |
| B | TYR259 |
| A | ARG38 |
| A | ASP85 |
| A | ARG86 |
| A | ARG89 |
| A | ARG209 |
| A | PEG1300 |
| A | HOH2016 |
| A | HOH2132 |
| site_id | AC2 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE BHC B 1297 |
| Chain | Residue |
| A | ARG89 |
| A | TYR90 |
| A | LYS256 |
| A | PRO257 |
| A | TYR259 |
| A | HOH2114 |
| A | HOH2115 |
| A | HOH2118 |
| B | ARG37 |
| B | ARG38 |
| B | ASP85 |
| B | ARG86 |
| B | ARG89 |
| B | ARG209 |
| B | HOH2015 |
| B | HOH2047 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE BHC A 1298 |
| Chain | Residue |
| A | ARG89 |
| A | HIS252 |
| A | ARG254 |
| A | LYS256 |
| A | HOH2133 |
| A | HOH2134 |
| B | ARG89 |
| B | ARG254 |
| B | LYS256 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO B 1298 |
| Chain | Residue |
| B | ARG89 |
| B | LYS256 |
| B | HOH2105 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 1299 |
| Chain | Residue |
| A | LYS222 |
| A | SER224 |
| A | ARG251 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PEG A 1300 |
| Chain | Residue |
| A | ARG37 |
| A | HIS41 |
| A | BHC1297 |
| A | HOH2016 |
| B | TYR90 |
| B | PRO257 |
| B | ASP258 |
| B | TYR259 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 1299 |
| Chain | Residue |
| A | TYR90 |
| B | ARG37 |
| B | ARG89 |
| B | GLN93 |
| B | HOH2015 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 954 |
| Chain | Residue | Details |
| A | ASP34 | metal ligand |
| A | ARG38 | proton acceptor, proton donor |
| A | TYR51 | proton acceptor, proton donor |
| A | TYR90 | activator, 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 |
