4HM3
Naphthalene 1,2-Dioxygenase bound to ethylbenzene
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005506 | molecular_function | iron ion binding |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0018625 | molecular_function | naphthalene 1,2-dioxygenase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0051213 | molecular_function | dioxygenase activity |
| A | 0051536 | molecular_function | iron-sulfur cluster binding |
| A | 0051537 | molecular_function | 2 iron, 2 sulfur cluster binding |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0019380 | biological_process | 3-phenylpropionate catabolic process |
| B | 0051213 | molecular_function | dioxygenase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE EDO A 1001 |
| Chain | Residue |
| A | LEU31 |
| A | GLN377 |
| A | PHE35 |
| A | ALA36 |
| A | MET59 |
| A | GLY60 |
| A | ILE61 |
| A | ASP62 |
| A | PHE152 |
| A | TYR376 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO A 1002 |
| Chain | Residue |
| A | HIS18 |
| A | VAL80 |
| A | CYS81 |
| A | ARG82 |
| A | SER381 |
| A | ASP382 |
| A | HOH1118 |
| A | HOH1147 |
| A | HOH1162 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1003 |
| Chain | Residue |
| A | LEU128 |
| A | ASN129 |
| A | LYS130 |
| A | LYS131 |
| A | HOH1484 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FES A 1004 |
| Chain | Residue |
| A | CYS81 |
| A | HIS83 |
| A | ARG84 |
| A | CYS101 |
| A | HIS104 |
| A | TRP106 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE FE A 1005 |
| Chain | Residue |
| A | HIS208 |
| A | HIS213 |
| A | ASP362 |
| A | HOH1307 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PYJ A 1006 |
| Chain | Residue |
| A | ASN201 |
| A | ASP205 |
| A | VAL209 |
| A | HIS295 |
| A | ASN297 |
| site_id | AC7 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE EDO A 1007 |
| Chain | Residue |
| A | PRO49 |
| A | ALA50 |
| A | ASP53 |
| A | HOH1235 |
| A | HOH1433 |
| A | HOH1669 |
| B | ARG77 |
| B | TYR78 |
| B | LYS79 |
| B | LEU80 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 1008 |
| Chain | Residue |
| A | PRO118 |
| A | PHE119 |
| A | HOH1257 |
| A | HOH1605 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1009 |
| Chain | Residue |
| A | TRP439 |
| A | HIS440 |
| A | HOH1192 |
| A | HOH1250 |
| A | HOH1284 |
| A | HOH1427 |
| site_id | BC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO B 1001 |
| Chain | Residue |
| B | TYR87 |
| B | GLN101 |
| B | MET190 |
| B | VAL191 |
| B | PHE192 |
| B | HOH1110 |
| B | HOH1124 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 1002 |
| Chain | Residue |
| A | HOH1595 |
| B | ASN90 |
| B | GLN93 |
| B | HOH1209 |
| site_id | BC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO B 1003 |
| Chain | Residue |
| B | ALA157 |
| B | GLU159 |
| B | PHE176 |
| B | VAL177 |
| B | ASP178 |
| B | HOH1125 |
| B | HOH1275 |
| B | HOH1287 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1004 |
| Chain | Residue |
| B | GLN62 |
| B | GLN64 |
| B | HOH1161 |
| B | HOH1199 |
| B | HOH1249 |
| B | HOH1258 |
| site_id | BC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1005 |
| Chain | Residue |
| B | GLY58 |
| B | SER59 |
| B | GLU166 |
| B | LYS171 |
| B | HOH1324 |
| site_id | BC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 1006 |
| Chain | Residue |
| B | GLU82 |
| B | ALA83 |
| B | ASN85 |
| B | HOH1243 |
| B | HOH1253 |
Functional Information from PROSITE/UniProt
| site_id | PS00570 |
| Number of Residues | 24 |
| Details | RING_HYDROXYL_ALPHA Bacterial ring hydroxylating dioxygenases alpha-subunit signature. CrHRGktlvsveaGNakgfvCsYH |
| Chain | Residue | Details |
| A | CYS81-HIS104 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 98 |
| Details | Domain: {"description":"Rieske","evidences":[{"source":"PROSITE-ProRule","id":"PRU00628","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 7 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"16980501","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"OCT-2012","submissionDatabase":"PDB data bank","title":"Naphthalene 1,2-Dioxygenase bound to thioanisole.","authors":["Ferraro D.J.","Ramaswamy S."]}},{"source":"PDB","id":"2HMJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2HMK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2HML","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2HMM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2HMN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2HMO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HJL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HKV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HM0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HM1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HM2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HM3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HM4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HM5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HM6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HM7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HM8","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
