6T0F
Crystal structure of CYP124 in complex with cholest-4-en-3-one
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004497 | molecular_function | monooxygenase activity |
| A | 0005506 | molecular_function | iron ion binding |
| A | 0006631 | biological_process | fatty acid metabolic process |
| A | 0006707 | biological_process | cholesterol catabolic process |
| A | 0008395 | molecular_function | steroid hydroxylase activity |
| A | 0010430 | biological_process | fatty acid omega-oxidation |
| A | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| A | 0020037 | molecular_function | heme binding |
| A | 0031073 | molecular_function | cholesterol 26-hydroxylase activity |
| A | 0036199 | molecular_function | cholest-4-en-3-one 26-monooxygenase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0070402 | molecular_function | NADPH binding |
| A | 0097089 | biological_process | methyl-branched fatty acid metabolic process |
| B | 0004497 | molecular_function | monooxygenase activity |
| B | 0005506 | molecular_function | iron ion binding |
| B | 0006631 | biological_process | fatty acid metabolic process |
| B | 0006707 | biological_process | cholesterol catabolic process |
| B | 0008395 | molecular_function | steroid hydroxylase activity |
| B | 0010430 | biological_process | fatty acid omega-oxidation |
| B | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| B | 0020037 | molecular_function | heme binding |
| B | 0031073 | molecular_function | cholesterol 26-hydroxylase activity |
| B | 0036199 | molecular_function | cholest-4-en-3-one 26-monooxygenase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0070402 | molecular_function | NADPH binding |
| B | 0097089 | biological_process | methyl-branched fatty acid metabolic process |
| C | 0004497 | molecular_function | monooxygenase activity |
| C | 0005506 | molecular_function | iron ion binding |
| C | 0006631 | biological_process | fatty acid metabolic process |
| C | 0006707 | biological_process | cholesterol catabolic process |
| C | 0008395 | molecular_function | steroid hydroxylase activity |
| C | 0010430 | biological_process | fatty acid omega-oxidation |
| C | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| C | 0020037 | molecular_function | heme binding |
| C | 0031073 | molecular_function | cholesterol 26-hydroxylase activity |
| C | 0036199 | molecular_function | cholest-4-en-3-one 26-monooxygenase activity |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0070402 | molecular_function | NADPH binding |
| C | 0097089 | biological_process | methyl-branched fatty acid metabolic process |
| D | 0004497 | molecular_function | monooxygenase activity |
| D | 0005506 | molecular_function | iron ion binding |
| D | 0006631 | biological_process | fatty acid metabolic process |
| D | 0006707 | biological_process | cholesterol catabolic process |
| D | 0008395 | molecular_function | steroid hydroxylase activity |
| D | 0010430 | biological_process | fatty acid omega-oxidation |
| D | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| D | 0020037 | molecular_function | heme binding |
| D | 0031073 | molecular_function | cholesterol 26-hydroxylase activity |
| D | 0036199 | molecular_function | cholest-4-en-3-one 26-monooxygenase activity |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0070402 | molecular_function | NADPH binding |
| D | 0097089 | biological_process | methyl-branched fatty acid metabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 27 |
| Details | binding site for residue HEM A 501 |
| Chain | Residue |
| A | ILE111 |
| A | THR272 |
| A | PRO314 |
| A | VAL315 |
| A | ARG320 |
| A | TYR343 |
| A | GLY370 |
| A | PHE371 |
| A | GLY372 |
| A | HIS377 |
| A | CYS379 |
| A | HIS118 |
| A | LEU380 |
| A | GLY381 |
| A | ALA385 |
| A | K2B502 |
| A | HOH660 |
| A | HOH664 |
| A | HOH695 |
| A | HOH712 |
| A | ARG122 |
| A | PHE129 |
| A | ILE176 |
| A | LEU264 |
| A | ALA267 |
| A | GLY268 |
| A | THR271 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | binding site for residue K2B A 502 |
| Chain | Residue |
| A | PHE63 |
| A | ASN93 |
| A | THR95 |
| A | ASN97 |
| A | GLN99 |
| A | LEU103 |
| A | ILE197 |
| A | PHE209 |
| A | PHE212 |
| A | HEM501 |
| A | HOH547 |
| site_id | AC3 |
| Number of Residues | 11 |
| Details | binding site for residue MPO A 503 |
| Chain | Residue |
| A | GLY181 |
| A | PRO183 |
| A | TYR222 |
| A | ALA225 |
| A | LEU226 |
| A | ASP229 |
| A | ARG230 |
| A | HOH653 |
| A | HOH832 |
| A | HOH878 |
| A | HOH908 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 504 |
| Chain | Residue |
| A | GLU25 |
| A | LEU26 |
| A | GLY27 |
| A | TRP55 |
| A | PRO56 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue GOL A 505 |
| Chain | Residue |
| A | HIS-1 |
| A | HIS0 |
| A | HOH868 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | binding site for residue GOL A 506 |
| Chain | Residue |
| A | GOL507 |
| A | HOH850 |
| site_id | AC7 |
| Number of Residues | 2 |
| Details | binding site for residue GOL A 507 |
| Chain | Residue |
| A | GOL506 |
| A | HOH1031 |
| site_id | AC8 |
| Number of Residues | 15 |
| Details | binding site for residue PGE A 508 |
| Chain | Residue |
| A | ASP36 |
| A | HIS278 |
| A | LEU281 |
| A | ARG285 |
| A | PRO409 |
| A | ARG411 |
| A | HIS418 |
| A | GLY419 |
| A | HOH621 |
| A | HOH633 |
| A | HOH675 |
| A | HOH704 |
| A | HOH816 |
| A | HOH894 |
| A | HOH968 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue GOL A 509 |
| Chain | Residue |
| A | SER165 |
| A | GLU166 |
| D | ASN233 |
| D | HOH975 |
| site_id | AD1 |
| Number of Residues | 23 |
| Details | binding site for residue HEM B 501 |
| Chain | Residue |
| B | HOH678 |
| B | HOH714 |
| B | HOH765 |
| B | HOH850 |
| B | ILE111 |
| B | HIS118 |
| B | ARG122 |
| B | LEU264 |
| B | ALA267 |
| B | THR271 |
| B | THR272 |
| B | VAL315 |
| B | ARG320 |
| B | TYR343 |
| B | GLY370 |
| B | PHE371 |
| B | GLY372 |
| B | HIS377 |
| B | CYS379 |
| B | LEU380 |
| B | GLY381 |
| B | ALA385 |
| B | K2B502 |
| site_id | AD2 |
| Number of Residues | 12 |
| Details | binding site for residue K2B B 502 |
| Chain | Residue |
| B | PHE63 |
| B | ASN93 |
| B | THR95 |
| B | ASN97 |
| B | GLN99 |
| B | LEU103 |
| B | ILE197 |
| B | PHE209 |
| B | PHE212 |
| B | PHE416 |
| B | HEM501 |
| B | HOH547 |
| site_id | AD3 |
| Number of Residues | 13 |
| Details | binding site for residue MPO B 503 |
| Chain | Residue |
| B | GLY181 |
| B | PRO183 |
| B | TYR222 |
| B | ALA225 |
| B | LEU226 |
| B | ASP229 |
| B | ARG230 |
| B | HIS235 |
| B | HOH639 |
| B | HOH700 |
| B | HOH883 |
| B | HOH929 |
| B | HOH1019 |
| site_id | AD4 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 504 |
| Chain | Residue |
| B | GLU25 |
| B | LEU26 |
| B | GLY27 |
| B | SER28 |
| B | TRP55 |
| B | PRO56 |
| site_id | AD5 |
| Number of Residues | 3 |
| Details | binding site for residue GOL B 505 |
| Chain | Residue |
| B | HOH627 |
| B | HOH648 |
| B | HOH979 |
| site_id | AD6 |
| Number of Residues | 3 |
| Details | binding site for residue GOL B 506 |
| Chain | Residue |
| B | HIS0 |
| B | HOH615 |
| B | HOH1070 |
| site_id | AD7 |
| Number of Residues | 12 |
| Details | binding site for residue PGE B 507 |
| Chain | Residue |
| B | ASP35 |
| B | ASP36 |
| B | HIS278 |
| B | PRO409 |
| B | ARG411 |
| B | HIS418 |
| B | GLY419 |
| B | ILE420 |
| B | PGE508 |
| B | HOH605 |
| B | HOH823 |
| B | HOH975 |
| site_id | AD8 |
| Number of Residues | 12 |
| Details | binding site for residue PGE B 508 |
| Chain | Residue |
| B | ARG10 |
| B | PRO16 |
| B | ASP36 |
| B | ASP37 |
| B | ASP40 |
| B | ARG285 |
| B | PGE507 |
| B | HOH605 |
| B | HOH655 |
| B | HOH668 |
| B | HOH970 |
| B | HOH1046 |
| site_id | AD9 |
| Number of Residues | 24 |
| Details | binding site for residue HEM C 501 |
| Chain | Residue |
| C | ILE111 |
| C | HIS118 |
| C | ARG122 |
| C | LEU264 |
| C | ALA267 |
| C | THR271 |
| C | THR272 |
| C | PRO314 |
| C | VAL315 |
| C | ARG320 |
| C | TYR343 |
| C | GLY370 |
| C | PHE371 |
| C | GLY372 |
| C | HIS377 |
| C | CYS379 |
| C | LEU380 |
| C | GLY381 |
| C | ALA385 |
| C | K2B502 |
| C | HOH687 |
| C | HOH725 |
| C | HOH727 |
| C | HOH808 |
| site_id | AE1 |
| Number of Residues | 11 |
| Details | binding site for residue K2B C 502 |
| Chain | Residue |
| C | PHE63 |
| C | ASN93 |
| C | THR95 |
| C | ASN97 |
| C | GLN99 |
| C | LEU103 |
| C | ILE197 |
| C | PHE209 |
| C | PHE212 |
| C | HEM501 |
| C | HOH547 |
| site_id | AE2 |
| Number of Residues | 11 |
| Details | binding site for residue MPO C 503 |
| Chain | Residue |
| C | GLY181 |
| C | PRO183 |
| C | TYR222 |
| C | ALA225 |
| C | ASP229 |
| C | ARG230 |
| C | HOH697 |
| C | HOH746 |
| C | HOH923 |
| C | HOH958 |
| C | HOH1003 |
| site_id | AE3 |
| Number of Residues | 3 |
| Details | binding site for residue GOL C 504 |
| Chain | Residue |
| C | GOL505 |
| C | HOH692 |
| C | HOH1155 |
| site_id | AE4 |
| Number of Residues | 5 |
| Details | binding site for residue GOL C 505 |
| Chain | Residue |
| C | ASP291 |
| C | SER295 |
| C | GOL504 |
| C | HOH924 |
| C | HOH1046 |
| site_id | AE5 |
| Number of Residues | 17 |
| Details | binding site for residue PGE C 506 |
| Chain | Residue |
| C | ARG10 |
| C | THR14 |
| C | PRO16 |
| C | ASP36 |
| C | ASP37 |
| C | ASP40 |
| C | ARG285 |
| C | HOH617 |
| C | HOH677 |
| C | HOH709 |
| C | HOH710 |
| C | HOH821 |
| C | HOH936 |
| C | HOH960 |
| C | HOH1005 |
| C | HOH1033 |
| C | HOH1037 |
| site_id | AE6 |
| Number of Residues | 5 |
| Details | binding site for residue PGE C 507 |
| Chain | Residue |
| C | GLY108 |
| C | LEU113 |
| C | ARG117 |
| C | HOH726 |
| C | HOH815 |
| site_id | AE7 |
| Number of Residues | 24 |
| Details | binding site for residue HEM D 501 |
| Chain | Residue |
| D | ILE111 |
| D | HIS118 |
| D | ARG122 |
| D | LEU264 |
| D | ALA267 |
| D | GLY268 |
| D | THR271 |
| D | THR272 |
| D | PRO314 |
| D | VAL315 |
| D | ARG320 |
| D | TYR343 |
| D | GLY370 |
| D | PHE371 |
| D | GLY372 |
| D | HIS377 |
| D | CYS379 |
| D | GLY381 |
| D | ALA385 |
| D | K2B502 |
| D | HOH680 |
| D | HOH682 |
| D | HOH685 |
| D | HOH703 |
| site_id | AE8 |
| Number of Residues | 11 |
| Details | binding site for residue K2B D 502 |
| Chain | Residue |
| D | PHE63 |
| D | ASN93 |
| D | THR95 |
| D | ASN97 |
| D | GLN99 |
| D | LEU103 |
| D | ILE197 |
| D | PHE209 |
| D | PHE212 |
| D | HEM501 |
| D | HOH547 |
| site_id | AE9 |
| Number of Residues | 14 |
| Details | binding site for residue MPO D 503 |
| Chain | Residue |
| D | GLY181 |
| D | PRO183 |
| D | TYR222 |
| D | ALA225 |
| D | LEU226 |
| D | ASP229 |
| D | ARG230 |
| D | HIS235 |
| D | HOH617 |
| D | HOH750 |
| D | HOH949 |
| D | HOH958 |
| D | HOH984 |
| D | HOH1105 |
| site_id | AF1 |
| Number of Residues | 11 |
| Details | binding site for residue PGE D 504 |
| Chain | Residue |
| D | GLY108 |
| D | SER109 |
| D | VAL112 |
| D | LEU113 |
| D | ARG117 |
| D | GOL506 |
| D | HOH667 |
| D | HOH818 |
| D | HOH834 |
| D | HOH951 |
| D | HOH1170 |
| site_id | AF2 |
| Number of Residues | 5 |
| Details | binding site for residue GOL D 505 |
| Chain | Residue |
| D | GLU25 |
| D | LEU26 |
| D | GLY27 |
| D | TRP55 |
| D | PRO56 |
| site_id | AF3 |
| Number of Residues | 6 |
| Details | binding site for residue GOL D 506 |
| Chain | Residue |
| D | SER253 |
| D | ARG255 |
| D | GLU256 |
| D | PGE504 |
| D | HOH624 |
| D | HOH647 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | BINDING: axial binding residue => ECO:0000269|PubMed:19933331, ECO:0007744|PDB:2WM4, ECO:0007744|PDB:2WM5 |
| Chain | Residue | Details |
| A | CYS379 | |
| B | CYS379 | |
| C | CYS379 | |
| D | CYS379 |
