1I0B
HIGH RESOLUTION STRUCTURE OF THE MANGANESE-CONTAINING PHOSPHOTRIESTERASE FROM PSEUDOMONAS DIMINUTA
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004063 | molecular_function | aryldialkylphosphatase activity |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0008270 | molecular_function | zinc ion binding |
| A | 0009056 | biological_process | catabolic process |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0016788 | molecular_function | hydrolase activity, acting on ester bonds |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0004063 | molecular_function | aryldialkylphosphatase activity |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0008270 | molecular_function | zinc ion binding |
| B | 0009056 | biological_process | catabolic process |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0016788 | molecular_function | hydrolase activity, acting on ester bonds |
| B | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MN A 401 |
| Chain | Residue |
| A | HIS55 |
| A | HIS57 |
| A | ASP301 |
| A | FMT369 |
| A | MN402 |
| A | EDO408 |
| A | HOH1010 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MN A 402 |
| Chain | Residue |
| A | FMT369 |
| A | MN401 |
| A | HOH853 |
| A | HOH1010 |
| A | HOH1012 |
| A | HIS201 |
| A | HIS230 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MN B 401 |
| Chain | Residue |
| B | HIS55 |
| B | HIS57 |
| B | ASP301 |
| B | FMT369 |
| B | MN402 |
| B | EDO407 |
| B | HOH1009 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MN B 402 |
| Chain | Residue |
| B | HIS201 |
| B | HIS230 |
| B | FMT369 |
| B | MN401 |
| B | HOH1009 |
| B | HOH1011 |
| B | HOH1015 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA A 405 |
| Chain | Residue |
| A | ASN38 |
| A | ILE154 |
| A | GLN155 |
| A | ARG164 |
| A | HOH787 |
| A | HOH1014 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE NA B 406 |
| Chain | Residue |
| B | ASN38 |
| B | ILE154 |
| B | GLN155 |
| B | ARG164 |
| B | HOH785 |
| B | HOH806 |
| B | HOH1018 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO B 407 |
| Chain | Residue |
| B | HIS57 |
| B | ILE106 |
| B | TRP131 |
| B | FMT369 |
| B | MN401 |
| B | HOH530 |
| B | HOH1011 |
| B | HOH1127 |
| site_id | AC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO A 408 |
| Chain | Residue |
| A | HIS57 |
| A | TRP131 |
| A | PHE306 |
| A | FMT369 |
| A | MN401 |
| A | HOH854 |
| A | HOH995 |
| A | HOH1010 |
| A | HOH1012 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 409 |
| Chain | Residue |
| A | ARG91 |
| B | THR147 |
| B | HOH710 |
| B | HOH786 |
| site_id | BC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO A 410 |
| Chain | Residue |
| A | LEU182 |
| A | HOH558 |
| site_id | BC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 411 |
| Chain | Residue |
| A | VAL84 |
| A | GLU115 |
| A | HOH796 |
| site_id | BC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 412 |
| Chain | Residue |
| A | EDO413 |
| A | HOH559 |
| A | HOH783 |
| A | HOH1016 |
| B | ARG91 |
| site_id | BC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 413 |
| Chain | Residue |
| A | EDO412 |
| A | HOH1016 |
| B | ARG91 |
| B | ASP121 |
| B | HOH676 |
| site_id | BC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO B 414 |
| Chain | Residue |
| B | LYS77 |
| B | GLU115 |
| B | HOH1059 |
| site_id | BC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 415 |
| Chain | Residue |
| B | PRO256 |
| B | TRP277 |
| B | VAL320 |
| B | PHE327 |
| site_id | BC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO B 416 |
| Chain | Residue |
| A | ASP133 |
| A | PRO134 |
| A | PRO135 |
| B | ASP133 |
| B | PRO134 |
| B | PRO135 |
| B | HOH472 |
| B | HOH475 |
| B | HOH836 |
| site_id | BC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 417 |
| Chain | Residue |
| A | SER47 |
| A | GLU48 |
| A | GLY50 |
| A | ARG96 |
| site_id | BC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO B 418 |
| Chain | Residue |
| B | GLY50 |
| B | ARG96 |
| B | HIS123 |
| B | HOH636 |
| B | HOH989 |
| B | SER47 |
| B | GLU48 |
| site_id | CC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 419 |
| Chain | Residue |
| A | ARG41 |
| A | GLY42 |
| A | PRO43 |
| B | EDO423 |
| site_id | CC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 420 |
| Chain | Residue |
| A | PHE72 |
| A | PHE73 |
| A | GLY305 |
| A | PHE306 |
| A | MET314 |
| A | HOH489 |
| site_id | CC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO B 421 |
| Chain | Residue |
| B | PRO70 |
| B | GLU71 |
| B | SER75 |
| B | ARG76 |
| B | HOH550 |
| B | HOH655 |
| B | HOH939 |
| site_id | CC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO B 422 |
| Chain | Residue |
| B | ASN265 |
| B | SER267 |
| B | VAL310 |
| B | THR311 |
| B | ASN312 |
| B | ILE313 |
| B | VAL316 |
| B | HOH930 |
| site_id | CC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO B 423 |
| Chain | Residue |
| A | GLY42 |
| A | PRO43 |
| A | EDO419 |
| A | HOH440 |
| A | HOH883 |
| A | HOH923 |
| B | PRO334 |
| B | GLU338 |
| site_id | CC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 424 |
| Chain | Residue |
| A | ARG337 |
| A | GLN343 |
| A | HOH457 |
| B | TYR156 |
| B | HOH698 |
| site_id | CC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO B 425 |
| Chain | Residue |
| B | THR352 |
| B | ALA355 |
| B | HOH635 |
| site_id | CC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO B 426 |
| Chain | Residue |
| A | PHE104 |
| A | ARG108 |
| A | GLU159 |
| A | HOH476 |
| B | GLY64 |
| B | ARG67 |
| B | ALA68 |
| site_id | CC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 427 |
| Chain | Residue |
| A | GLN295 |
| A | ARG356 |
| A | HOH984 |
| site_id | DC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 428 |
| Chain | Residue |
| B | LYS285 |
| B | LYS339 |
| B | GLY340 |
| B | HOH758 |
| site_id | DC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO B 429 |
| Chain | Residue |
| B | GLY74 |
| B | ALA78 |
| B | HOH810 |
| site_id | DC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 430 |
| Chain | Residue |
| A | GLY74 |
| A | ALA78 |
| A | HOH934 |
| site_id | DC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO B 431 |
| Chain | Residue |
| B | ARG118 |
| B | HOH906 |
| site_id | DC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 432 |
| Chain | Residue |
| A | GLU210 |
| A | ALA242 |
| A | ARG246 |
| A | HOH576 |
| site_id | DC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PEL B 433 |
| Chain | Residue |
| B | LYS77 |
| B | MET293 |
| B | GLY348 |
| B | ASN353 |
| B | ARG356 |
| site_id | DC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PEL A 434 |
| Chain | Residue |
| A | LYS77 |
| A | MET293 |
| A | LYS294 |
| A | THR345 |
| A | GLY348 |
| A | ILE349 |
| A | ASN353 |
| site_id | DC8 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE FMT A 369 |
| Chain | Residue |
| A | HIS55 |
| A | HIS57 |
| A | ILE106 |
| A | TRP131 |
| A | LYS169 |
| A | HIS201 |
| A | HIS230 |
| A | MN401 |
| A | MN402 |
| A | EDO408 |
| A | HOH1010 |
| A | HOH1012 |
| site_id | DC9 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE FMT B 369 |
| Chain | Residue |
| B | HIS55 |
| B | HIS57 |
| B | LYS169 |
| B | HIS201 |
| B | HIS230 |
| B | MN401 |
| B | MN402 |
| B | EDO407 |
| B | HOH1009 |
Functional Information from PROSITE/UniProt
| site_id | PS01322 |
| Number of Residues | 9 |
| Details | PHOSPHOTRIESTERASE_1 Phosphotriesterase family signature 1. GfTLtHEHI |
| Chain | Residue | Details |
| A | GLY50-ILE58 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 10 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"7794910","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DPM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1EYW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1EZ2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HZY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O4M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O4Q","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OB3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OQL","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Binding site: {"description":"via carbamate group","evidences":[{"source":"PubMed","id":"7794910","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DPM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1EYW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1EZ2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HZY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O4M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O4Q","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OB3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OQL","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N6-carboxylysine","evidences":[{"source":"PROSITE-ProRule","id":"PRU00679","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"7794910","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DPM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1EYW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1EZ2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HZY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O4M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O4Q","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OB3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OQL","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ez2 |
| Chain | Residue | Details |
| A | HIS254 | |
| A | ASP233 | |
| A | ASP301 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ez2 |
| Chain | Residue | Details |
| B | HIS254 | |
| B | ASP233 | |
| B | ASP301 |
| site_id | MCSA1 |
| Number of Residues | 8 |
| Details | M-CSA 159 |
| Chain | Residue | Details |
| A | HIS55 | metal ligand |
| A | HIS57 | metal ligand |
| A | LYS169 | metal ligand |
| A | HIS201 | metal ligand |
| A | HIS230 | metal ligand |
| A | ASP233 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | HIS254 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| A | ASP301 | hydrogen bond acceptor, hydrogen bond donor, metal ligand, proton acceptor, proton donor |
| site_id | MCSA2 |
| Number of Residues | 8 |
| Details | M-CSA 159 |
| Chain | Residue | Details |
| B | HIS55 | metal ligand |
| B | HIS57 | metal ligand |
| B | LYS169 | metal ligand |
| B | HIS201 | metal ligand |
| B | HIS230 | metal ligand |
| B | ASP233 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | HIS254 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| B | ASP301 | hydrogen bond acceptor, hydrogen bond donor, metal ligand, proton acceptor, proton donor |
