2J5C
Rational conversion of substrate and product specificity in a monoterpene synthase. Structural insights into the molecular basis of rapid evolution.
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0009507 | cellular_component | chloroplast |
| A | 0010333 | molecular_function | terpene synthase activity |
| A | 0010597 | biological_process | green leaf volatile biosynthetic process |
| A | 0016099 | biological_process | monoterpenoid biosynthetic process |
| A | 0016102 | biological_process | diterpenoid biosynthetic process |
| A | 0016114 | biological_process | terpenoid biosynthetic process |
| A | 0016829 | molecular_function | lyase activity |
| A | 0016838 | molecular_function | carbon-oxygen lyase activity, acting on phosphates |
| A | 0046248 | biological_process | alpha-pinene biosynthetic process |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0050550 | molecular_function | pinene synthase activity |
| A | 0050551 | molecular_function | myrcene synthase activity |
| A | 0080015 | molecular_function | sabinene synthase activity |
| A | 0102313 | molecular_function | 1,8-cineole synthase activity |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0009507 | cellular_component | chloroplast |
| B | 0010333 | molecular_function | terpene synthase activity |
| B | 0010597 | biological_process | green leaf volatile biosynthetic process |
| B | 0016099 | biological_process | monoterpenoid biosynthetic process |
| B | 0016102 | biological_process | diterpenoid biosynthetic process |
| B | 0016114 | biological_process | terpenoid biosynthetic process |
| B | 0016829 | molecular_function | lyase activity |
| B | 0016838 | molecular_function | carbon-oxygen lyase activity, acting on phosphates |
| B | 0046248 | biological_process | alpha-pinene biosynthetic process |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0050550 | molecular_function | pinene synthase activity |
| B | 0050551 | molecular_function | myrcene synthase activity |
| B | 0080015 | molecular_function | sabinene synthase activity |
| B | 0102313 | molecular_function | 1,8-cineole synthase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE BME A1592 |
| Chain | Residue |
| A | CYS122 |
| A | HIS123 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BME A1593 |
| Chain | Residue |
| A | ARG310 |
| A | GLU313 |
| A | CYS314 |
| A | ASN338 |
| A | THR342 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BME B1592 |
| Chain | Residue |
| B | ARG325 |
| B | CYS122 |
| B | HIS123 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE BME B1593 |
| Chain | Residue |
| B | ARG310 |
| B | GLU313 |
| B | CYS314 |
| B | ASN338 |
| B | ALA339 |
| B | THR342 |
| B | HOH2107 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | Motif: {"description":"DDXXD motif","evidences":[{"source":"UniProtKB","id":"A6XH06","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 11 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"Q40577","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Site: {"description":"Confers catalytic properties (activation of water molecule and hydroxylation of the alpha-terpinyl cation)","evidences":[{"source":"PubMed","id":"17557809","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1n20 |
| Chain | Residue | Details |
| A | TRP317 | |
| A | PHE571 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1n20 |
| Chain | Residue | Details |
| B | TRP317 | |
| B | PHE571 |
