5NX7
Crystal structure of 1,8-cineole synthase from Streptomyces clavuligerus in complex with 2-fluoroneryl diphosphate and 2-fluorogeranyl diphosphate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0010333 | molecular_function | terpene synthase activity |
| A | 0016829 | molecular_function | lyase activity |
| A | 0016838 | molecular_function | carbon-oxygen lyase activity, acting on phosphates |
| A | 0033383 | biological_process | geranyl diphosphate metabolic process |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0102313 | molecular_function | 1,8-cineole synthase activity |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0010333 | molecular_function | terpene synthase activity |
| B | 0016829 | molecular_function | lyase activity |
| B | 0016838 | molecular_function | carbon-oxygen lyase activity, acting on phosphates |
| B | 0033383 | biological_process | geranyl diphosphate metabolic process |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0102313 | molecular_function | 1,8-cineole synthase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 21 |
| Details | binding site for residue 0FV A 400 |
| Chain | Residue |
| A | PHE77 |
| A | ARG314 |
| A | TYR315 |
| A | LA6401 |
| A | MG402 |
| A | MG403 |
| A | MG404 |
| A | HOH502 |
| A | HOH533 |
| A | HOH544 |
| A | HOH560 |
| A | ARG174 |
| A | HOH562 |
| A | HOH572 |
| A | LEU183 |
| A | ASN220 |
| A | SER224 |
| A | LYS227 |
| A | GLU228 |
| A | ASN305 |
| A | TRP308 |
| site_id | AC2 |
| Number of Residues | 26 |
| Details | binding site for residue LA6 A 401 |
| Chain | Residue |
| A | PHE77 |
| A | PHE78 |
| A | ASP81 |
| A | ARG174 |
| A | PHE179 |
| A | MET180 |
| A | ILE216 |
| A | ASN217 |
| A | ASN220 |
| A | SER224 |
| A | LYS227 |
| A | GLU228 |
| A | ASN305 |
| A | ARG314 |
| A | TYR315 |
| A | 0FV400 |
| A | MG402 |
| A | MG403 |
| A | MG404 |
| A | HOH502 |
| A | HOH533 |
| A | HOH535 |
| A | HOH544 |
| A | HOH568 |
| A | HOH572 |
| A | HOH591 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 402 |
| Chain | Residue |
| A | ASN220 |
| A | SER224 |
| A | GLU228 |
| A | 0FV400 |
| A | LA6401 |
| A | HOH533 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | binding site for residue MG A 403 |
| Chain | Residue |
| A | ASP81 |
| A | 0FV400 |
| A | LA6401 |
| A | MG404 |
| A | HOH535 |
| A | HOH568 |
| A | HOH572 |
| site_id | AC5 |
| Number of Residues | 8 |
| Details | binding site for residue MG A 404 |
| Chain | Residue |
| A | ASP81 |
| A | 0FV400 |
| A | LA6401 |
| A | MG403 |
| A | HOH502 |
| A | HOH504 |
| A | HOH560 |
| A | HOH568 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue 9D2 A 405 |
| Chain | Residue |
| A | GLU6 |
| A | GLN250 |
| A | LEU253 |
| A | ARG257 |
| B | GLU43 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | binding site for residue NDS A 406 |
| Chain | Residue |
| A | PHE19 |
| A | ARG22 |
| A | ARG26 |
| A | GLN63 |
| A | GLY64 |
| B | PRO18 |
| B | ARG22 |
| site_id | AC8 |
| Number of Residues | 23 |
| Details | binding site for residue 0FV B 400 |
| Chain | Residue |
| B | HOH520 |
| B | HOH524 |
| B | HOH543 |
| B | HOH619 |
| B | PHE77 |
| B | PHE78 |
| B | ASP81 |
| B | ARG174 |
| B | PHE179 |
| B | LEU183 |
| B | ILE216 |
| B | ASN220 |
| B | SER224 |
| B | LYS227 |
| B | GLU228 |
| B | ASN305 |
| B | ARG314 |
| B | TYR315 |
| B | LA6401 |
| B | MG402 |
| B | MG403 |
| B | MG404 |
| B | HOH511 |
| site_id | AC9 |
| Number of Residues | 28 |
| Details | binding site for residue LA6 B 401 |
| Chain | Residue |
| B | PHE77 |
| B | PHE78 |
| B | ASP81 |
| B | ARG174 |
| B | PHE179 |
| B | MET180 |
| B | ILE216 |
| B | ASN217 |
| B | ASN220 |
| B | SER224 |
| B | LYS227 |
| B | GLU228 |
| B | ASN305 |
| B | TRP308 |
| B | ARG314 |
| B | TYR315 |
| B | 0FV400 |
| B | MG402 |
| B | MG403 |
| B | MG404 |
| B | HOH511 |
| B | HOH520 |
| B | HOH524 |
| B | HOH531 |
| B | HOH536 |
| B | HOH543 |
| B | HOH587 |
| B | HOH619 |
| site_id | AD1 |
| Number of Residues | 6 |
| Details | binding site for residue MG B 402 |
| Chain | Residue |
| B | ASN220 |
| B | SER224 |
| B | GLU228 |
| B | 0FV400 |
| B | LA6401 |
| B | HOH520 |
| site_id | AD2 |
| Number of Residues | 7 |
| Details | binding site for residue MG B 403 |
| Chain | Residue |
| B | ASP81 |
| B | 0FV400 |
| B | LA6401 |
| B | MG404 |
| B | HOH531 |
| B | HOH536 |
| B | HOH619 |
| site_id | AD3 |
| Number of Residues | 8 |
| Details | binding site for residue MG B 404 |
| Chain | Residue |
| B | ASP81 |
| B | 0FV400 |
| B | LA6401 |
| B | MG403 |
| B | HOH504 |
| B | HOH511 |
| B | HOH524 |
| B | HOH536 |
| site_id | AD4 |
| Number of Residues | 6 |
| Details | binding site for residue 9D2 B 405 |
| Chain | Residue |
| A | GLU43 |
| B | GLU6 |
| B | GLN250 |
| B | LEU253 |
| B | ARG257 |
| B | HOH509 |
| site_id | AD5 |
| Number of Residues | 6 |
| Details | binding site for residue NDS B 406 |
| Chain | Residue |
| A | PRO18 |
| B | PHE19 |
| B | ARG22 |
| B | ARG26 |
| B | GLN63 |
| B | GLY64 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | Motif: {"description":"DDXXD motif","evidences":[{"source":"PubMed","id":"28966840","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 16 |
| Details | Motif: {"description":"NXXXSXXXE motif","evidences":[{"source":"PubMed","id":"28966840","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"28966840","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5NX6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5NX7","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"28966840","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5NX7","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
