1PPW
ISOPENTENYLPYROPHOSPHATE-DIMETHYLALLYLPYROPHOSPHATE ISOMERASE IN COMPLEX WITH THE BROMOHYDRINE OF IPP
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004452 | molecular_function | isopentenyl-diphosphate delta-isomerase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0006974 | biological_process | DNA damage response |
| A | 0008270 | molecular_function | zinc ion binding |
| A | 0008299 | biological_process | isoprenoid biosynthetic process |
| A | 0016853 | molecular_function | isomerase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0050992 | biological_process | dimethylallyl diphosphate biosynthetic process |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004452 | molecular_function | isopentenyl-diphosphate delta-isomerase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0006974 | biological_process | DNA damage response |
| B | 0008270 | molecular_function | zinc ion binding |
| B | 0008299 | biological_process | isoprenoid biosynthetic process |
| B | 0016853 | molecular_function | isomerase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0050992 | biological_process | dimethylallyl diphosphate biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MN A 201 |
| Chain | Residue |
| A | HIS25 |
| A | HIS32 |
| A | HIS69 |
| A | GLU114 |
| A | GLU116 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MN B 201 |
| Chain | Residue |
| B | GLU116 |
| B | HIS25 |
| B | HIS32 |
| B | HIS69 |
| B | GLU114 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG A 401 |
| Chain | Residue |
| A | CYS67 |
| A | GLU87 |
| A | EIP301 |
| A | HOH501 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 401 |
| Chain | Residue |
| B | CYS67 |
| B | GLU87 |
| B | EIP301 |
| B | HOH512 |
| B | HOH513 |
| site_id | AC5 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE EIP A 301 |
| Chain | Residue |
| A | LYS21 |
| A | ALA34 |
| A | PHE35 |
| A | SER36 |
| A | ARG51 |
| A | LYS55 |
| A | CYS67 |
| A | GLY68 |
| A | HIS69 |
| A | ARG83 |
| A | GLU87 |
| A | TYR104 |
| A | GLU114 |
| A | GLU116 |
| A | CYS118 |
| A | TRP161 |
| A | MG401 |
| A | HOH501 |
| A | HOH514 |
| A | HOH547 |
| site_id | AC6 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE EIP B 301 |
| Chain | Residue |
| B | LYS21 |
| B | ARG51 |
| B | LYS55 |
| B | CYS67 |
| B | GLY68 |
| B | HIS69 |
| B | ARG83 |
| B | GLU87 |
| B | TYR104 |
| B | GLU116 |
| B | CYS118 |
| B | TRP161 |
| B | MG401 |
| B | HOH507 |
| B | HOH513 |
| B | HOH605 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 268 |
| Details | Domain: {"description":"Nudix hydrolase"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Active site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 14 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"12630859","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15643873","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | Site: {"description":"Essential for catalytic activity"} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1i9a |
| Chain | Residue | Details |
| A | TRP161 | |
| A | GLU87 | |
| A | GLU116 | |
| A | CYS67 |
| site_id | CSA2 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1i9a |
| Chain | Residue | Details |
| B | TRP161 | |
| B | GLU87 | |
| B | GLU116 | |
| B | CYS67 |
| site_id | MCSA1 |
| Number of Residues | 9 |
| Details | M-CSA 190 |
| Chain | Residue | Details |
| A | HIS25 | metal ligand |
| A | HIS32 | metal ligand |
| A | CYS67 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | HIS69 | metal ligand |
| A | GLU87 | metal ligand |
| A | TYR104 | hydrogen bond acceptor, hydrogen bond donor, proton donor |
| A | GLU114 | metal ligand |
| A | GLU116 | electrostatic stabiliser, hydrogen bond acceptor, metal ligand, proton acceptor, proton donor |
| A | TRP161 | electrostatic stabiliser, polar/non-polar interaction |
| site_id | MCSA2 |
| Number of Residues | 9 |
| Details | M-CSA 190 |
| Chain | Residue | Details |
| B | HIS25 | metal ligand |
| B | HIS32 | metal ligand |
| B | CYS67 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | HIS69 | metal ligand |
| B | GLU87 | metal ligand |
| B | TYR104 | hydrogen bond acceptor, hydrogen bond donor, proton donor |
| B | GLU114 | metal ligand |
| B | GLU116 | electrostatic stabiliser, hydrogen bond acceptor, metal ligand, proton acceptor, proton donor |
| B | TRP161 | electrostatic stabiliser, polar/non-polar interaction |
