2UVN
Crystal structure of econazole-bound CYP130 from Mycobacterium tuberculosis
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004497 | molecular_function | monooxygenase activity |
| A | 0005506 | molecular_function | iron ion binding |
| A | 0006707 | biological_process | cholesterol catabolic process |
| A | 0008395 | molecular_function | steroid hydroxylase activity |
| A | 0009274 | cellular_component | peptidoglycan-based cell wall |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| A | 0020037 | molecular_function | heme binding |
| A | 0036199 | molecular_function | cholest-4-en-3-one 26-monooxygenase activity |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0004497 | molecular_function | monooxygenase activity |
| B | 0005506 | molecular_function | iron ion binding |
| B | 0006707 | biological_process | cholesterol catabolic process |
| B | 0008395 | molecular_function | steroid hydroxylase activity |
| B | 0009274 | cellular_component | peptidoglycan-based cell wall |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| B | 0020037 | molecular_function | heme binding |
| B | 0036199 | molecular_function | cholest-4-en-3-one 26-monooxygenase activity |
| B | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE HEM A 1408 |
| Chain | Residue |
| A | HIS97 |
| A | TYR318 |
| A | THR346 |
| A | PHE347 |
| A | SER348 |
| A | ALA351 |
| A | HIS352 |
| A | CYS354 |
| A | ECN1409 |
| A | ARG101 |
| A | MET240 |
| A | GLY244 |
| A | THR247 |
| A | PRO289 |
| A | VAL290 |
| A | LEU293 |
| A | ARG295 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE ECN A 1409 |
| Chain | Residue |
| A | ASP85 |
| A | THR86 |
| A | PRO87 |
| A | MET91 |
| A | PHE236 |
| A | THR239 |
| A | THR242 |
| A | GLY243 |
| A | GLY244 |
| A | HEM1408 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE F A 1410 |
| Chain | Residue |
| A | GLU43 |
| A | ARG312 |
| site_id | AC4 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE F A 1411 |
| Chain | Residue |
| A | ARG374 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE F A 1412 |
| Chain | Residue |
| A | THR13 |
| A | ALA14 |
| A | GLY389 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1413 |
| Chain | Residue |
| A | VAL380 |
| A | ALA381 |
| A | GLU382 |
| A | SER383 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1414 |
| Chain | Residue |
| A | ARG342 |
| A | ASN343 |
| A | HIS349 |
| B | HIS35 |
| site_id | AC8 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1415 |
| Chain | Residue |
| A | ARG51 |
| site_id | AC9 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE F A 1416 |
| Chain | Residue |
| A | ARG407 |
| site_id | BC1 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE HEM B 1405 |
| Chain | Residue |
| B | MET91 |
| B | HIS97 |
| B | ARG101 |
| B | PHE108 |
| B | MET240 |
| B | THR247 |
| B | VAL248 |
| B | VAL290 |
| B | LEU293 |
| B | ARG295 |
| B | TYR318 |
| B | THR346 |
| B | PHE347 |
| B | ALA351 |
| B | HIS352 |
| B | CYS354 |
| B | GLY356 |
| B | ALA360 |
| B | ECN1406 |
| site_id | BC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE ECN B 1406 |
| Chain | Residue |
| B | ASP85 |
| B | THR86 |
| B | PRO87 |
| B | MET89 |
| B | MET91 |
| B | PHE236 |
| B | THR239 |
| B | GLY243 |
| B | GLY244 |
| B | HEM1405 |
| site_id | BC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE F B 1407 |
| Chain | Residue |
| B | ARG41 |
| B | TYR44 |
| site_id | BC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE F B 1408 |
| Chain | Residue |
| B | GLU382 |
| B | SER383 |
| site_id | BC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE F B 1409 |
| Chain | Residue |
| B | TYR328 |
| B | ARG342 |
| site_id | BC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE F B 1410 |
| Chain | Residue |
| B | ARG25 |
| site_id | BC7 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE F B 1411 |
| Chain | Residue |
| B | ARG51 |
| site_id | BC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE F B 1412 |
| Chain | Residue |
| B | ARG121 |
| B | VAL366 |
| site_id | BC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE F B 1413 |
| Chain | Residue |
| B | THR13 |
| B | ALA14 |
| B | GLY389 |
| site_id | CC1 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE F B 1414 |
| Chain | Residue |
| B | ARG106 |
| site_id | CC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE F B 1415 |
| Chain | Residue |
| B | ARG203 |
| site_id | CC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1416 |
| Chain | Residue |
| B | ARG342 |
| B | PHE347 |
| B | HIS353 |
| B | ARG361 |
| site_id | CC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE F B 1417 |
| Chain | Residue |
| A | SER57 |
| A | ARG60 |
Functional Information from PROSITE/UniProt
| site_id | PS00086 |
| Number of Residues | 10 |
| Details | CYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FShGAHHCLG |
| Chain | Residue | Details |
| A | PHE347-GLY356 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"18089574","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19605350","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Binding site: {"description":"axial binding residue"} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1akd |
| Chain | Residue | Details |
| A | ASP246 | |
| A | THR247 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1akd |
| Chain | Residue | Details |
| B | ASP246 | |
| B | THR247 |
