2WET
Crystal structure of tryptophan 5-halogenase (PyrH) complex with FAD (tryptophan)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004497 | molecular_function | monooxygenase activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0017000 | biological_process | antibiotic biosynthetic process |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0004497 | molecular_function | monooxygenase activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0017000 | biological_process | antibiotic biosynthetic process |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0004497 | molecular_function | monooxygenase activity |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0017000 | biological_process | antibiotic biosynthetic process |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0004497 | molecular_function | monooxygenase activity |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0017000 | biological_process | antibiotic biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL A 700 |
| Chain | Residue |
| A | PRO352 |
| A | THR356 |
| A | GLY357 |
| A | FAD1513 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL B 700 |
| Chain | Residue |
| B | PRO352 |
| B | THR356 |
| B | GLY357 |
| B | FAD1652 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL C 700 |
| Chain | Residue |
| C | THR356 |
| C | GLY357 |
| C | FAD1513 |
| C | HOH2109 |
| C | PRO352 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL D 700 |
| Chain | Residue |
| D | PRO352 |
| D | THR356 |
| D | GLY357 |
| D | FAD1513 |
| D | HOH2043 |
| site_id | AC5 |
| Number of Residues | 37 |
| Details | BINDING SITE FOR RESIDUE FAD A 1513 |
| Chain | Residue |
| A | GLY9 |
| A | GLY10 |
| A | GLY11 |
| A | THR12 |
| A | ALA13 |
| A | GLU35 |
| A | SER36 |
| A | VAL39 |
| A | ARG41 |
| A | ILE42 |
| A | VAL44 |
| A | GLY45 |
| A | ALA47 |
| A | ASP193 |
| A | ASP194 |
| A | VAL195 |
| A | CYS225 |
| A | THR226 |
| A | GLY227 |
| A | ALA253 |
| A | LEU345 |
| A | PHE349 |
| A | PRO352 |
| A | GLY357 |
| A | ILE358 |
| A | ILE361 |
| A | CL700 |
| A | HOH2007 |
| A | HOH2147 |
| A | HOH2149 |
| A | HOH2245 |
| A | HOH2246 |
| A | HOH2247 |
| A | HOH2248 |
| A | HOH2249 |
| A | HOH2250 |
| A | HOH2251 |
| site_id | AC6 |
| Number of Residues | 32 |
| Details | BINDING SITE FOR RESIDUE FAD B 1652 |
| Chain | Residue |
| B | GLY9 |
| B | GLY10 |
| B | ALA13 |
| B | SER36 |
| B | VAL39 |
| B | ARG41 |
| B | ILE42 |
| B | VAL44 |
| B | GLY45 |
| B | ALA47 |
| B | VAL195 |
| B | CYS225 |
| B | THR226 |
| B | GLY227 |
| B | ARG229 |
| B | TRP281 |
| B | ILE283 |
| B | GLY344 |
| B | LEU345 |
| B | PHE349 |
| B | PRO352 |
| B | SER355 |
| B | GLY357 |
| B | ILE358 |
| B | ILE361 |
| B | CL700 |
| B | HOH2202 |
| B | HOH2203 |
| B | HOH2204 |
| B | HOH2205 |
| B | HOH2206 |
| B | HOH2207 |
| site_id | AC7 |
| Number of Residues | 39 |
| Details | BINDING SITE FOR RESIDUE FAD C 1513 |
| Chain | Residue |
| C | ASP193 |
| C | VAL195 |
| C | CYS225 |
| C | THR226 |
| C | GLY227 |
| C | ARG229 |
| C | LEU231 |
| C | ALA253 |
| C | GLY344 |
| C | LEU345 |
| C | PHE349 |
| C | PRO352 |
| C | GLY357 |
| C | ILE358 |
| C | ILE361 |
| C | CL700 |
| C | HOH2002 |
| C | HOH2006 |
| C | HOH2062 |
| C | HOH2108 |
| C | HOH2110 |
| C | HOH2177 |
| C | HOH2178 |
| C | HOH2179 |
| C | HOH2180 |
| C | HOH2181 |
| C | HOH2182 |
| C | GLY9 |
| C | GLY10 |
| C | GLY11 |
| C | THR12 |
| C | ALA13 |
| C | SER36 |
| C | VAL39 |
| C | ARG41 |
| C | ILE42 |
| C | VAL44 |
| C | GLY45 |
| C | ALA47 |
| site_id | AC8 |
| Number of Residues | 33 |
| Details | BINDING SITE FOR RESIDUE FAD D 1513 |
| Chain | Residue |
| D | GLY9 |
| D | GLY10 |
| D | GLY11 |
| D | THR12 |
| D | ALA13 |
| D | SER36 |
| D | VAL39 |
| D | ARG41 |
| D | ILE42 |
| D | VAL44 |
| D | GLY45 |
| D | ALA47 |
| D | ASP193 |
| D | VAL195 |
| D | CYS225 |
| D | THR226 |
| D | GLY227 |
| D | ARG229 |
| D | ALA253 |
| D | TRP281 |
| D | GLY344 |
| D | LEU345 |
| D | PHE349 |
| D | PRO352 |
| D | GLY357 |
| D | ILE358 |
| D | ILE361 |
| D | CL700 |
| D | HOH2040 |
| D | HOH2102 |
| D | HOH2103 |
| D | HOH2104 |
| D | HOH2105 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 C 1514 |
| Chain | Residue |
| C | ARG240 |
| C | ARG334 |
| C | ARG334 |
| C | SER383 |
| C | ASN386 |
| C | HOH2069 |
| C | HOH2183 |
| site_id | BC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL D 1514 |
| Chain | Residue |
| A | HOH2208 |
| D | LYS370 |
| site_id | BC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL A 1514 |
| Chain | Residue |
| A | LYS370 |
| D | HOH2082 |
| site_id | BC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL B 1653 |
| Chain | Residue |
| B | ALA158 |
| site_id | BC4 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL C 1515 |
| Chain | Residue |
| C | LYS370 |
| site_id | BC5 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE TRP B 650 |
| Chain | Residue |
| B | PHE49 |
| B | SER50 |
| B | THR51 |
| B | ILE78 |
| B | HIS92 |
| B | PRO93 |
| B | PHE94 |
| B | GLN160 |
| B | GLN163 |
| B | GLU354 |
| B | GLY450 |
| B | PHE451 |
| B | TYR454 |
| B | HOH2180 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | Active site: {"evidences":[{"source":"UniProtKB","id":"P95480","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 44 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"19501593","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2WES","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WET","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"19501593","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2WET","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 24 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"19501593","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2WET","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WEU","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | Site: {"description":"Important for activity","evidences":[{"source":"UniProtKB","id":"P95480","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
