4IQ9
Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004497 | molecular_function | monooxygenase activity |
| A | 0005506 | molecular_function | iron ion binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0009975 | molecular_function | cyclase activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| A | 0016717 | molecular_function | oxidoreductase activity, acting on paired donors, with oxidation of a pair of donors resulting in the reduction of molecular oxygen to two molecules of water |
| A | 0020037 | molecular_function | heme binding |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0070025 | molecular_function | carbon monoxide binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE HEM A 401 |
| Chain | Residue |
| A | MET62 |
| A | ARG286 |
| A | ALA337 |
| A | PHE338 |
| A | GLY339 |
| A | HIS343 |
| A | CYS345 |
| A | PRO346 |
| A | 1GB410 |
| A | HOH501 |
| A | HOH524 |
| A | MET86 |
| A | HOH567 |
| A | HOH613 |
| A | HOH718 |
| A | HOH1081 |
| A | HIS146 |
| A | PHE230 |
| A | GLY234 |
| A | SER237 |
| A | PHE241 |
| A | PHE280 |
| A | LEU284 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 A 402 |
| Chain | Residue |
| A | ARG58 |
| A | SER61 |
| A | MET62 |
| A | LYS63 |
| A | HIS343 |
| A | HOH786 |
| A | HOH828 |
| A | HOH1077 |
| A | HOH1138 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 403 |
| Chain | Residue |
| A | ARG134 |
| A | PHE161 |
| A | ARG381 |
| A | ARG391 |
| A | HOH563 |
| A | HOH1112 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 404 |
| Chain | Residue |
| A | LYS211 |
| A | PRO330 |
| A | ASN331 |
| A | PRO332 |
| A | THR333 |
| A | SER334 |
| A | HOH756 |
| A | HOH894 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 405 |
| Chain | Residue |
| A | SER12 |
| A | ARG17 |
| A | HOH670 |
| A | HOH708 |
| A | HOH763 |
| A | HOH881 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 406 |
| Chain | Residue |
| A | LEU7 |
| A | ARG32 |
| A | ARG300 |
| A | HOH779 |
| A | HOH1177 |
| A | HOH1178 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 407 |
| Chain | Residue |
| A | ALA49 |
| A | ASP212 |
| A | GLU317 |
| A | HIS318 |
| A | HOH530 |
| A | HOH730 |
| A | HOH1135 |
| A | HOH1184 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 408 |
| Chain | Residue |
| A | PRO19 |
| A | ASP20 |
| A | ALA21 |
| A | HOH1031 |
| site_id | AC9 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 409 |
| Chain | Residue |
| A | MET62 |
| A | ARG72 |
| A | ASN74 |
| A | LEU76 |
| A | PRO285 |
| A | 1GB410 |
| A | HOH566 |
| A | HOH665 |
| A | HOH747 |
| site_id | BC1 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE 1GB A 410 |
| Chain | Residue |
| A | HOH1096 |
| A | HOH1183 |
| A | MET62 |
| A | THR77 |
| A | VAL78 |
| A | VAL82 |
| A | VAL83 |
| A | ASN85 |
| A | ALA167 |
| A | PHE168 |
| A | THR229 |
| A | GLN385 |
| A | ARG386 |
| A | HEM401 |
| A | GOL409 |
| A | HOH502 |
| A | HOH540 |
| A | HOH546 |
| A | HOH600 |
| A | HOH747 |
| A | HOH1081 |
| A | HOH1084 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 411 |
| Chain | Residue |
| A | THR4 |
| A | VAL5 |
| A | LYS301 |
| A | HOH1021 |
| A | HOH1120 |
| A | HOH1182 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 412 |
| Chain | Residue |
| A | VAL5 |
| A | GLU8 |
| A | ALA68 |
| A | GLY69 |
| A | HOH601 |
| A | HOH1021 |
| site_id | BC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 413 |
| Chain | Residue |
| A | SER219 |
| A | GLU221 |
| A | ARG252 |
| A | GLY323 |
| A | SER324 |
| A | ILE325 |
| A | HOH986 |
| site_id | BC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 414 |
| Chain | Residue |
| A | ASP16 |
| A | SER248 |
| A | GLN251 |
| A | ARG252 |
| A | ILE276 |
| A | HOH560 |
| A | HOH761 |
| A | HOH1110 |
| site_id | BC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL A 415 |
| Chain | Residue |
| A | LEU193 |
| A | ILE198 |
| A | SER207 |
| A | LYS211 |
| A | ARG340 |
| A | HOH574 |
| A | HOH752 |
| A | HOH818 |
| A | HOH838 |
| A | HOH1066 |
| site_id | BC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 416 |
| Chain | Residue |
| A | ALA92 |
| A | HIS217 |
| A | VAL218 |
| A | ASN321 |
| A | HOH614 |
| A | HOH1024 |
| A | HOH1190 |
| A | HOH1191 |
| site_id | BC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 417 |
| Chain | Residue |
| A | VAL5 |
| A | ALA288 |
| A | THR289 |
| A | LYS301 |
| A | HOH834 |
| A | HOH1021 |
Functional Information from PROSITE/UniProt
| site_id | PS00086 |
| Number of Residues | 10 |
| Details | CYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGrGQHFCPG |
| Chain | Residue | Details |
| A | PHE338-GLY347 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"17028183","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19416919","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"12435731","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17028183","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18818197","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19416919","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22890978","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23620594","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | Binding site: {"description":"axial binding residue"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | Site: {"description":"Participates in a stacking interactions with the tyrosyl of cYY"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | Site: {"description":"Important for the position of heme"} |
| Chain | Residue | Details |
