6IB5
Mutant of flavin-dependent tryptophan halogenase Thal with altered regioselectivity (Thal-RebH5)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004497 | molecular_function | monooxygenase activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004497 | molecular_function | monooxygenase activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 2 |
| Details | binding site for residue PO4 A 601 |
| Chain | Residue |
| A | ARG158 |
| A | ARG164 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | binding site for residue GOL A 602 |
| Chain | Residue |
| A | ARG44 |
| A | ASN327 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | binding site for residue GOL A 603 |
| Chain | Residue |
| A | HIS263 |
| A | ASP264 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue GOL A 604 |
| Chain | Residue |
| A | GLY361 |
| A | ILE362 |
| A | HOH827 |
| A | THR15 |
| A | GLU49 |
| A | LEU349 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue GOL A 605 |
| Chain | Residue |
| A | ARG337 |
| A | ARG338 |
| B | VAL186 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 606 |
| Chain | Residue |
| A | ASP301 |
| A | HIS302 |
| A | PHE303 |
| A | ALA304 |
| A | THR305 |
| A | GLU308 |
| A | HOH866 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue GOL A 607 |
| Chain | Residue |
| A | HIS250 |
| A | ASP398 |
| A | ARG401 |
| site_id | AC8 |
| Number of Residues | 1 |
| Details | binding site for residue PO4 B 601 |
| Chain | Residue |
| B | ARG338 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | binding site for residue PO4 B 602 |
| Chain | Residue |
| B | HIS250 |
| B | ARG401 |
| site_id | AD1 |
| Number of Residues | 2 |
| Details | binding site for residue PO4 B 603 |
| Chain | Residue |
| B | ARG439 |
| B | ARG483 |
| site_id | AD2 |
| Number of Residues | 3 |
| Details | binding site for residue GOL B 604 |
| Chain | Residue |
| A | LYS432 |
| A | ARG439 |
| B | GLU205 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue GOL B 605 |
| Chain | Residue |
| B | THR15 |
| B | GLU49 |
| B | GLY361 |
| site_id | AD4 |
| Number of Residues | 2 |
| Details | binding site for residue GOL B 606 |
| Chain | Residue |
| B | LEU202 |
| B | THR203 |
| site_id | AD5 |
| Number of Residues | 4 |
| Details | binding site for residue GOL B 607 |
| Chain | Residue |
| A | ARG206 |
| B | ARG4 |
| B | LYS6 |
| B | THR31 |
| site_id | AD6 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 608 |
| Chain | Residue |
| A | GLU205 |
| A | ARG206 |
| A | GLY207 |
| B | LYS33 |
| B | HOH719 |
| B | HOH820 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: ACT_SITE => ECO:0000305|PubMed:30559288, ECO:0000305|PubMed:33465708 |
| Chain | Residue | Details |
| A | LYS79 | |
| B | LYS79 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:31589794, ECO:0000269|PubMed:33465708, ECO:0007744|PDB:6SLS, ECO:0007744|PDB:6SLT, ECO:0007744|PDB:7CU1 |
| Chain | Residue | Details |
| A | GLY13 | |
| B | ALA16 | |
| B | ILE42 | |
| B | ILE45 | |
| B | ALA50 | |
| B | MET198 | |
| B | LEU349 | |
| B | ILE362 | |
| A | ALA16 | |
| A | ILE42 | |
| A | ILE45 | |
| A | ALA50 | |
| A | MET198 | |
| A | LEU349 | |
| A | ILE362 | |
| B | GLY13 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:33465708, ECO:0007744|PDB:7CU1 |
| Chain | Residue | Details |
| A | THR15 | |
| B | THR15 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:31589794, ECO:0007744|PDB:6SLS |
| Chain | Residue | Details |
| A | ALA39 | |
| B | ALA39 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:31589794, ECO:0007744|PDB:6SLS, ECO:0007744|PDB:6SLT |
| Chain | Residue | Details |
| A | VAL47 | |
| B | VAL47 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 10 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:30559288, ECO:0000269|PubMed:31589794, ECO:0000269|PubMed:33465708, ECO:0007744|PDB:6H44, ECO:0007744|PDB:6SLT, ECO:0007744|PDB:7CU0 |
| Chain | Residue | Details |
| A | PRO111 | |
| B | PHE465 | |
| A | TYR454 | |
| A | TYR455 | |
| A | GLU461 | |
| A | PHE465 | |
| B | PRO111 | |
| B | TYR454 | |
| B | TYR455 | |
| B | GLU461 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:E9P162 |
| Chain | Residue | Details |
| A | THR360 | |
| A | GLY361 | |
| B | THR360 | |
| B | GLY361 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | SITE: Important for activity => ECO:0000250|UniProtKB:P95480 |
| Chain | Residue | Details |
| A | GLU358 | |
| B | GLU358 |
