1KPH
Crystal Structure of mycolic acid cyclopropane synthase CmaA1 complexed with SAH and DDDMAB
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0008168 | molecular_function | methyltransferase activity |
| A | 0008610 | biological_process | lipid biosynthetic process |
| A | 0008825 | molecular_function | cyclopropane-fatty-acyl-phospholipid synthase activity |
| A | 0032259 | biological_process | methylation |
| A | 0046500 | biological_process | S-adenosylmethionine metabolic process |
| A | 0071768 | biological_process | mycolic acid biosynthetic process |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0008168 | molecular_function | methyltransferase activity |
| B | 0008610 | biological_process | lipid biosynthetic process |
| B | 0008825 | molecular_function | cyclopropane-fatty-acyl-phospholipid synthase activity |
| B | 0032259 | biological_process | methylation |
| B | 0046500 | biological_process | S-adenosylmethionine metabolic process |
| B | 0071768 | biological_process | mycolic acid biosynthetic process |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005886 | cellular_component | plasma membrane |
| C | 0006629 | biological_process | lipid metabolic process |
| C | 0008168 | molecular_function | methyltransferase activity |
| C | 0008610 | biological_process | lipid biosynthetic process |
| C | 0008825 | molecular_function | cyclopropane-fatty-acyl-phospholipid synthase activity |
| C | 0032259 | biological_process | methylation |
| C | 0046500 | biological_process | S-adenosylmethionine metabolic process |
| C | 0071768 | biological_process | mycolic acid biosynthetic process |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005886 | cellular_component | plasma membrane |
| D | 0006629 | biological_process | lipid metabolic process |
| D | 0008168 | molecular_function | methyltransferase activity |
| D | 0008610 | biological_process | lipid biosynthetic process |
| D | 0008825 | molecular_function | cyclopropane-fatty-acyl-phospholipid synthase activity |
| D | 0032259 | biological_process | methylation |
| D | 0046500 | biological_process | S-adenosylmethionine metabolic process |
| D | 0071768 | biological_process | mycolic acid biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE CO3 A 1902 |
| Chain | Residue |
| A | SER34 |
| A | CYS35 |
| A | GLY137 |
| A | GLU140 |
| A | HIS167 |
| A | ILE169 |
| A | TYR232 |
| A | VAL280 |
| A | 10A1901 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE CO3 B 2902 |
| Chain | Residue |
| B | SER34 |
| B | CYS35 |
| B | GLY137 |
| B | GLU140 |
| B | HIS167 |
| B | ILE169 |
| B | TYR232 |
| B | 10A2901 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE CO3 C 3902 |
| Chain | Residue |
| C | SER34 |
| C | CYS35 |
| C | GLY137 |
| C | GLU140 |
| C | HIS167 |
| C | ILE169 |
| C | TYR232 |
| C | VAL280 |
| C | 10A3901 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE CO3 D 4902 |
| Chain | Residue |
| D | SER34 |
| D | CYS35 |
| D | GLY137 |
| D | GLU140 |
| D | HIS167 |
| D | ILE169 |
| D | TYR232 |
| D | 10A4901 |
| site_id | AC5 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE SAH A 1900 |
| Chain | Residue |
| A | VAL12 |
| A | TYR16 |
| A | THR32 |
| A | TYR33 |
| A | SER34 |
| A | GLY72 |
| A | GLY74 |
| A | THR94 |
| A | LEU95 |
| A | GLN99 |
| A | GLY122 |
| A | TRP123 |
| A | GLU124 |
| A | ILE136 |
| A | GLY137 |
| A | ALA138 |
| A | HIS141 |
| A | HOH1100 |
| A | HOH1102 |
| A | HOH1238 |
| A | HOH1241 |
| site_id | AC6 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE SAH B 2900 |
| Chain | Residue |
| B | VAL12 |
| B | TYR16 |
| B | THR32 |
| B | TYR33 |
| B | SER34 |
| B | GLY72 |
| B | GLY74 |
| B | THR94 |
| B | LEU95 |
| B | GLN99 |
| B | GLY122 |
| B | TRP123 |
| B | GLU124 |
| B | ILE136 |
| B | GLY137 |
| B | ALA138 |
| B | HIS141 |
| B | HOH1006 |
| B | HOH1010 |
| B | HOH1039 |
| B | HOH1085 |
| B | HOH1114 |
| B | HOH1356 |
| B | 10A2901 |
| site_id | AC7 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE SAH C 3900 |
| Chain | Residue |
| C | HOH1111 |
| C | HOH1235 |
| C | 10A3901 |
| C | VAL12 |
| C | TYR16 |
| C | THR32 |
| C | TYR33 |
| C | SER34 |
| C | GLY72 |
| C | GLY74 |
| C | THR94 |
| C | LEU95 |
| C | GLN99 |
| C | GLY122 |
| C | TRP123 |
| C | GLU124 |
| C | ILE136 |
| C | GLY137 |
| C | ALA138 |
| C | HIS141 |
| C | HOH1012 |
| C | HOH1021 |
| C | HOH1028 |
| site_id | AC8 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE SAH D 4900 |
| Chain | Residue |
| D | VAL12 |
| D | TYR16 |
| D | THR32 |
| D | TYR33 |
| D | SER34 |
| D | GLY72 |
| D | GLY74 |
| D | THR94 |
| D | LEU95 |
| D | GLN99 |
| D | GLY122 |
| D | TRP123 |
| D | GLU124 |
| D | ILE136 |
| D | GLY137 |
| D | ALA138 |
| D | HIS141 |
| D | HOH1013 |
| D | HOH1014 |
| D | HOH1082 |
| D | HOH1094 |
| D | HOH1145 |
| D | HOH1252 |
| D | 10A4901 |
| site_id | AC9 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE 10A A 1901 |
| Chain | Residue |
| A | TYR16 |
| A | TYR33 |
| A | GLY137 |
| A | GLU140 |
| A | ILE169 |
| A | LEU192 |
| A | VAL196 |
| A | GLY203 |
| A | ARG204 |
| A | LEU205 |
| A | TYR232 |
| A | TYR265 |
| A | CYS269 |
| A | CO31902 |
| site_id | BC1 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE 10A B 2901 |
| Chain | Residue |
| B | TYR16 |
| B | TYR33 |
| B | GLY137 |
| B | GLU140 |
| B | ILE169 |
| B | LEU192 |
| B | PHE200 |
| B | GLY203 |
| B | LEU205 |
| B | TYR232 |
| B | TYR265 |
| B | CYS269 |
| B | ILE278 |
| B | SAH2900 |
| B | CO32902 |
| site_id | BC2 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE 10A C 3901 |
| Chain | Residue |
| C | TYR16 |
| C | TYR33 |
| C | GLY137 |
| C | GLU140 |
| C | ILE169 |
| C | LEU192 |
| C | PHE200 |
| C | GLY203 |
| C | LEU205 |
| C | TYR232 |
| C | TYR265 |
| C | CYS269 |
| C | SAH3900 |
| C | CO33902 |
| site_id | BC3 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE 10A D 4901 |
| Chain | Residue |
| D | TYR16 |
| D | TYR33 |
| D | GLY137 |
| D | GLU140 |
| D | LEU192 |
| D | VAL196 |
| D | PHE200 |
| D | GLY203 |
| D | ARG204 |
| D | LEU205 |
| D | TYR232 |
| D | TYR265 |
| D | CYS269 |
| D | ILE278 |
| D | SAH4900 |
| D | CO34902 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: ACT_SITE => ECO:0000305 |
| Chain | Residue | Details |
| A | CYS269 | |
| B | CYS269 | |
| C | CYS269 | |
| D | CYS269 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11756461 |
| Chain | Residue | Details |
| A | TYR33 | |
| C | LEU68 | |
| C | THR94 | |
| C | TRP123 | |
| D | TYR33 | |
| D | LEU68 | |
| D | THR94 | |
| D | TRP123 | |
| A | LEU68 | |
| A | THR94 | |
| A | TRP123 | |
| B | TYR33 | |
| B | LEU68 | |
| B | THR94 | |
| B | TRP123 | |
| C | TYR33 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1or8 |
| Chain | Residue | Details |
| A | ILE136 | |
| A | GLU145 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1or8 |
| Chain | Residue | Details |
| B | ILE136 | |
| B | GLU145 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1or8 |
| Chain | Residue | Details |
| C | ILE136 | |
| C | GLU145 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1or8 |
| Chain | Residue | Details |
| D | ILE136 | |
| D | GLU145 |
