5MA2
PCE reductive dehalogenase from S. multivorans in complex with 4-iodophenol
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0050629 | molecular_function | tetrachloroethene reductive dehalogenase activity |
| A | 0051536 | molecular_function | iron-sulfur cluster binding |
| A | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0050629 | molecular_function | tetrachloroethene reductive dehalogenase activity |
| B | 0051536 | molecular_function | iron-sulfur cluster binding |
| B | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | binding site for residue SF4 A 501 |
| Chain | Residue |
| A | MET292 |
| A | CYS329 |
| A | CYS332 |
| A | LYS333 |
| A | CYS335 |
| A | CYS390 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | binding site for residue SF4 A 502 |
| Chain | Residue |
| A | CYS372 |
| A | CYS383 |
| A | GLY384 |
| A | CYS386 |
| A | BVQ503 |
| A | CYS339 |
| A | PRO340 |
| A | SER341 |
| site_id | AC3 |
| Number of Residues | 40 |
| Details | binding site for residue BVQ A 503 |
| Chain | Residue |
| A | TYR31 |
| A | THR36 |
| A | ALA37 |
| A | PHE38 |
| A | TYR170 |
| A | THR242 |
| A | TYR246 |
| A | MET249 |
| A | ASN272 |
| A | GLY275 |
| A | GLN276 |
| A | SER277 |
| A | VAL278 |
| A | ALA289 |
| A | MET292 |
| A | GLY293 |
| A | ALA294 |
| A | CYS295 |
| A | PRO302 |
| A | VAL304 |
| A | ARG305 |
| A | LEU306 |
| A | LYS308 |
| A | HIS357 |
| A | ASN358 |
| A | GLN359 |
| A | LYS362 |
| A | GLN364 |
| A | TYR369 |
| A | CYS372 |
| A | TRP376 |
| A | TYR382 |
| A | VAL387 |
| A | SF4502 |
| A | HOH602 |
| A | HOH625 |
| A | HOH721 |
| A | HOH734 |
| A | HOH767 |
| A | HOH843 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue BEN A 504 |
| Chain | Residue |
| A | THR39 |
| A | PHE44 |
| A | GLU189 |
| A | ILE399 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 505 |
| Chain | Residue |
| A | PHE38 |
| A | ASN101 |
| A | GLU189 |
| A | HOH606 |
| A | HOH670 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 506 |
| Chain | Residue |
| A | PHE110 |
| A | LEU113 |
| A | MET119 |
| A | HOH631 |
| A | HOH643 |
| A | HOH780 |
| B | PHE111 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 508 |
| Chain | Residue |
| A | ARG349 |
| A | PHE351 |
| A | HOH601 |
| A | HOH605 |
| B | GLU172 |
| site_id | AC8 |
| Number of Residues | 9 |
| Details | binding site for residue IOL A 509 |
| Chain | Residue |
| A | PHE38 |
| A | TRP56 |
| A | TRP96 |
| A | TYR102 |
| A | TYR246 |
| A | ARG305 |
| A | TRP376 |
| A | TYR382 |
| A | HOH602 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | binding site for residue IOL A 510 |
| Chain | Residue |
| A | ILE399 |
| A | HOH862 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue IOL A 511 |
| Chain | Residue |
| A | LEU58 |
| A | LEU186 |
| A | HIS187 |
| B | LEU124 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue IOD A 512 |
| Chain | Residue |
| A | ALA60 |
| A | LYS64 |
| A | GLY381 |
| A | TYR382 |
| site_id | AD3 |
| Number of Residues | 9 |
| Details | binding site for residue SF4 B 501 |
| Chain | Residue |
| B | LYS333 |
| B | CYS335 |
| B | CYS390 |
| B | PHE392 |
| B | ARG291 |
| B | MET292 |
| B | PHE328 |
| B | CYS329 |
| B | CYS332 |
| site_id | AD4 |
| Number of Residues | 8 |
| Details | binding site for residue SF4 B 502 |
| Chain | Residue |
| B | CYS339 |
| B | PRO340 |
| B | SER341 |
| B | CYS372 |
| B | CYS383 |
| B | GLY384 |
| B | CYS386 |
| B | BVQ503 |
| site_id | AD5 |
| Number of Residues | 40 |
| Details | binding site for residue BVQ B 503 |
| Chain | Residue |
| B | TYR31 |
| B | THR36 |
| B | ALA37 |
| B | PHE38 |
| B | TYR170 |
| B | THR242 |
| B | TYR246 |
| B | MET249 |
| B | ASN272 |
| B | GLY275 |
| B | GLN276 |
| B | SER277 |
| B | VAL278 |
| B | ALA289 |
| B | MET292 |
| B | GLY293 |
| B | ALA294 |
| B | CYS295 |
| B | PRO302 |
| B | VAL304 |
| B | ARG305 |
| B | LEU306 |
| B | LYS308 |
| B | HIS357 |
| B | ASN358 |
| B | GLN359 |
| B | LYS362 |
| B | GLN364 |
| B | TYR369 |
| B | CYS372 |
| B | TRP376 |
| B | TYR382 |
| B | VAL387 |
| B | SF4502 |
| B | HOH617 |
| B | HOH624 |
| B | HOH661 |
| B | HOH703 |
| B | HOH784 |
| B | HOH822 |
| site_id | AD6 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 504 |
| Chain | Residue |
| B | TRP56 |
| B | PHE57 |
| B | LEU186 |
| B | GLU189 |
| B | HOH607 |
| B | HOH621 |
| site_id | AD7 |
| Number of Residues | 7 |
| Details | binding site for residue GOL B 505 |
| Chain | Residue |
| A | PHE111 |
| B | PHE110 |
| B | LEU113 |
| B | MET119 |
| B | HOH610 |
| B | HOH629 |
| B | HOH733 |
| site_id | AD8 |
| Number of Residues | 3 |
| Details | binding site for residue IOL B 507 |
| Chain | Residue |
| A | ASP322 |
| B | PHE45 |
| B | HOH602 |
| site_id | AD9 |
| Number of Residues | 3 |
| Details | binding site for residue IOL B 508 |
| Chain | Residue |
| A | LEU124 |
| B | LEU186 |
| B | HIS187 |
| site_id | AE1 |
| Number of Residues | 7 |
| Details | binding site for residue IOL B 509 |
| Chain | Residue |
| B | PHE38 |
| B | TRP56 |
| B | TYR102 |
| B | TYR246 |
| B | ARG305 |
| B | TRP376 |
| B | TYR382 |
| site_id | AE2 |
| Number of Residues | 3 |
| Details | binding site for residue IOD B 511 |
| Chain | Residue |
| B | ALA60 |
| B | LYS64 |
| B | TYR382 |
| site_id | AE3 |
| Number of Residues | 16 |
| Details | binding site for residues GOL A 507 and IOL B 506 |
| Chain | Residue |
| A | PHE110 |
| A | LEU113 |
| A | MET119 |
| A | ASP322 |
| A | GLU327 |
| A | GLU330 |
| A | PRO348 |
| A | ARG349 |
| A | HOH631 |
| A | HOH643 |
| A | HOH679 |
| A | HOH780 |
| B | PRO41 |
| B | PHE45 |
| B | PHE111 |
| B | HOH602 |
Functional Information from PROSITE/UniProt
| site_id | PS00198 |
| Number of Residues | 12 |
| Details | 4FE4S_FER_1 4Fe-4S ferredoxin-type iron-sulfur binding region signature. CeTCKkCArECP |
| Chain | Residue | Details |
| A | CYS329-PRO340 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 60 |
| Details | Domain: {"description":"4Fe-4S ferredoxin-type 1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00711","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 19 |
| Details | Domain: {"description":"4Fe-4S ferredoxin-type 2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00711","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 56 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"28671181","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"29378885","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5M2G","evidenceCode":"ECO:0000312"},{"source":"PDB","id":"5M8U","evidenceCode":"ECO:0000312"},{"source":"PDB","id":"5M8W","evidenceCode":"ECO:0000312"},{"source":"PDB","id":"5MA2","evidenceCode":"ECO:0000312"},{"source":"PDB","id":"5OBP","evidenceCode":"ECO:0000312"}]} |
| Chain | Residue | Details |
