3DSim: 3D Structural Implication of Mutations

Web Services

   Very simple Perl script using one of the WebServices
#!/usr/bin/perl
use strict;
use SOAP::Lite;
use Getopt::Long;

# Global variables
use vars qw($SOAP $URI $PROXY $FASTA);
$SOAP='http://schemas.xmlsoap.org/soap/envelope/';
$URI='http://3dsim.bioinfo.cnio.es/WEBSERVICE';
$PROXY='http://3dsim.bioinfo.cnio.es/WEBSERVICE/3dsim.cgi';

# This variables should be modified depending on the requested web-service
my $service="GetMutationInformation_byCATHDOM";
my $var="1agwA02";

my($soap)=SOAP::Lite->new(
			uri   => $URI,
			proxy => $PROXY
);
$soap->outputxml('true');

print "Executing service $service with variable $var\n";

my $unparsedsom=$soap->call($service,$var);
$unparsedsom =~ s/&#([0-9]+);/&#$1;/g;

print "XML Output:\n\n$unparsedsom\n\n";

exit;
							
   GetMutationInformation_byCATHDOM
This web-service returns the Mutation Information Table displayed in the server's results page
The input is a cath domain identifier, for example: 1agwA02
The returned XML response contains the following information:
<GetMutationInformation_byCATHDOMResponse xmlns="http://3dsim.bioinfo.cnio.es/WEBSERVICE">

<3Dsim>
<mutation_information cath_domain='1agwA02' gene3d_domain='P11362/563-782' gene3d_pos='45' protein='P11362' blast_id='83' type='PD'>V607M</mutation_information>
<mutation_information cath_domain='1agwA02' gene3d_domain='P11362/563-782' gene3d_pos='102' protein='P11362' blast_id='83' type='PD'>V664L</mutation_information>
<mutation_information cath_domain='1agwA02' gene3d_domain='P11362/563-782' gene3d_pos='104' protein='P11362' blast_id='83' type='PD'>W666R</mutation_information>
<mutation_information cath_domain='1agwA02' gene3d_domain='P22455/556-743' gene3d_pos='103' protein='P22455' blast_id='76' type='PD'>P658T</mutation_information>
<mutation_information cath_domain='1agwA02' gene3d_domain='P22455/556-743' gene3d_pos='176' protein='P22455' blast_id='76' type='PD'>S731N</mutation_information>
<mutation_information cath_domain='1agwA02' gene3d_domain='P22607/557-776' gene3d_pos='94' protein='P22607' blast_id='72' type='PD'>K650E</mutation_information>
<mutation_information cath_domain='1agwA02' gene3d_domain='P22607/557-776' gene3d_pos='94' protein='P22607' blast_id='72' type='PD'>K650M</mutation_information>
<mutation_information cath_domain='1agwA02' gene3d_domain='P22607/557-776' gene3d_pos='94' protein='P22607' blast_id='72' type='PD'>K650N</mutation_information>
<mutation_information cath_domain='1agwA02' gene3d_domain='P22607/557-776' gene3d_pos='94' protein='P22607' blast_id='72' type='PD'>K650Q</mutation_information>
<mutation_information cath_domain='1agwA02' gene3d_domain='P07949/782-1005' gene3d_pos='116' protein='P07949' blast_id='43' type='PD'>R897Q</mutation_information>
<mutation_information cath_domain='1agwA02' gene3d_domain='P07949/782-1005' gene3d_pos='123' protein='P07949' blast_id='43' type='PD'>S904C</mutation_information>
<mutation_information cath_domain='1agwA02' gene3d_domain='P07949/782-1005' gene3d_pos='137' protein='P07949' blast_id='43' type='PD'>M918T</mutation_information>
<mutation_information cath_domain='1agwA02' gene3d_domain='P07949/782-1005' gene3d_pos='191' protein='P07949' blast_id='43' type='PD'>R972G</mutation_information>
<mutation_information cath_domain='1agwA02' gene3d_domain='P07949/782-1005' gene3d_pos='200' protein='P07949' blast_id='43' type='SNP'>R981C</mutation_information>
<mutation_information cath_domain='1agwA02' gene3d_domain='P07949/782-1005' gene3d_pos='201' protein='P07949' blast_id='43' type='PD'>R982C</mutation_information>
</3Dsim>

</GetMutationInformation_byCATHDOMResponse></soap:Body></soap:Envelope>
				
   GetCATHdomains_by_CATHsuperfamily_identifier
This web-service returns the CATH domains lodging mutations in a given CATH superfamily
The input is a CATH superfamily identifier, for example: 1.10.10.10
The returned XML response contains the following information:
<GetCATHdomains_by_CATHsuperfamily_identifierResponse xmlns="http://3dsim.bioinfo.cnio.es/WEBSERVICE">

<3Dsim>
<cath_domain cath_superfamily='1.10.10.10' >1k78E01</cath_domain>
<cath_domain cath_superfamily='1.10.10.10' >1d5vA00</cath_domain>
<cath_domain cath_superfamily='1.10.10.10' >1pdnC01</cath_domain>
<cath_domain cath_superfamily='1.10.10.10' >1hksA00</cath_domain>
<cath_domain cath_superfamily='1.10.10.10' >2dllA01</cath_domain>
<cath_domain cath_superfamily='1.10.10.10' >1k78I00</cath_domain>
<cath_domain cath_superfamily='1.10.10.10' >1qntA02</cath_domain>
<cath_domain cath_superfamily='1.10.10.10' >1if1A00</cath_domain>
<cath_domain cath_superfamily='1.10.10.10' >1pueF00</cath_domain>
<cath_domain cath_superfamily='1.10.10.10' >1d8jA00</cath_domain>
<cath_domain cath_superfamily='1.10.10.10' >1t2kB01</cath_domain>
<cath_domain cath_superfamily='1.10.10.10' >2c6yB00</cath_domain>
<cath_domain cath_superfamily='1.10.10.10' >1dp7P00</cath_domain>
</3Dsim>

</GetCATHdomains_by_CATHsuperfamily_identifierResponse>
					
   GetCATHsuperfamily_by_CATHdomain
This web-service returns the CATH superfamily that contains a given CATH domain
The input is a CATH domain identifier, for example: 1agwA02
The returned XML response contains the following information:
<GetCATHsuperfamily_by_CATHdomainResponse xmlns="http://3dsim.bioinfo.cnio.es/WEBSERVICE">

<3Dsim>
	<cath_superfamily cath_domain='1y8pA02'>3.30.565.10</cath_superfamily>
</3Dsim>

</GetCATHsuperfamily_by_CATHdomainResponse>
								
   Description_of_a_CATHsuperfamily_identifier
This web-service returns the description of a CATH superfamily and the representative structure
The input is a CATH superfamily identifier, for example: 1.10.10.10
The returned XML response contains the following information:
<Description_of_a_CATHsuperfamily_identifierResponse xmlns="http://3dsim.bioinfo.cnio.es/WEBSERVICE">

<3Dsim>
	<cath_domain_record cath_superfamily='1.10.10.10' >
		<cath_description>'winged helix' repressor DNA binding domain</cath_description>
		<cath_representative>1i27A00</cath_representative>
	</cath_domain_record>
</3Dsim>

</Description_of_a_CATHsuperfamily_identifierResponse>
								
   GetCATHdomain_sequence
This web-service returns the sequence of a given CATH domain
The input is a CATH domain identifier, for example: 1agwA02
The returned XML response contains the following information:
<GetCATHdomain_sequenceResponse xmlns="http://3dsim.bioinfo.cnio.es/WEBSERVICE">

<3Dsim>
	<sequence cath_domain='1y8pA02' length='176'>IGSIDPTCNVADVVKDAYETAKMLCEQYYLVAPELEVEEFNAKAPDKPIQVVYVPSHLFHMLFELFKNSMRATVELYEDRKEGYPAVKTLVTLGKEDLSIKISDLGGGVPLRKIDRLFNYMYSTAPRPSLEPTRAAPLAGFGYGLPISRLYARYFQGDLKLYSMEGVGTDAVIYLK</sequence>
</3Dsim>

</GetCATHdomain_sequenceResponse>
			
   GetCATHdomains_by_SWACC
This web-service returns the CATH domains to which a Uniprot Accession number is associated
The input is an Uniprot accession number, for example: P06280
The returned XML response contains the following information:
<GetCATHdomains_by_SWACCResponse xmlns="http://3dsim.bioinfo.cnio.es/WEBSERVICE">

<3Dsim>
	<cath_domains uniprot_accession='P06280'>1r47A01</cath_domains>
	<cath_domains uniprot_accession='P06280'>1r46B02</cath_domains>
</3Dsim>

</GetCATHdomains_by_SWACCResponse>
				
   Number_of_mutations_in_a_CATH_domain
This web-service returns the number of mutations (PDs and SNPs) lodging in a given CATH domain
The input is a CATH domain identifier, for example: 1agwA02
The returned XML response contains the following information:
<Number_of_mutations_in_a_CATH_domainResponse xmlns="http://3dsim.bioinfo.cnio.es/WEBSERVICE">
	
<3Dsim>
	<cath_domain_record cathdom='1y8pA02' >1</cath_domain_record>
</3Dsim>

</Number_of_mutations_in_a_CATH_domainResponse>
						
   SAAPdb_GetMutationsbySWACC
This web-service returns the mutations in SAAPdb for a given Uniprot Accession Number
The input is an Uniprot accession number, for example: P06280
The returned XML response contains the following information:
<SAAPdb_GetMutationsbySWACCResponse xmlns="http://3dsim.bioinfo.cnio.es/WEBSERVICE">

<SAAPdbMutations>
<MutationRecord accession='P06280' position='342' wt_aa='R' new_aa='Q' type='PD'>R342Q</MutationRecord>
<MutationRecord accession='P06280' position='264' wt_aa='D' new_aa='V' type='PD'>D264V</MutationRecord>
<MutationRecord accession='P06280' position='202' wt_aa='C' new_aa='W' type='PD'>C202W</MutationRecord>
<MutationRecord accession='P06280' position='301' wt_aa='R' new_aa='Q' type='PD'>R301Q</MutationRecord>
<MutationRecord accession='P06280' position='266' wt_aa='D' new_aa='V' type='PD'>D266V</MutationRecord>
<MutationRecord accession='P06280' position='143' wt_aa='A' new_aa='P' type='PD'>A143P</MutationRecord>
<MutationRecord accession='P06280' position='215' wt_aa='N' new_aa='S' type='PD'>N215S</MutationRecord>
<MutationRecord accession='P06280' position='65' wt_aa='S' new_aa='T' type='PD'>S65T</MutationRecord>
<MutationRecord accession='P06280' position='361' wt_aa='G' new_aa='R' type='PD'>G361R</MutationRecord>
<MutationRecord accession='P06280' position='146' wt_aa='P' new_aa='S' type='PD'>P146S</MutationRecord>
<MutationRecord accession='P06280' position='20' wt_aa='A' new_aa='P' type='PD'>A20P</MutationRecord>
<MutationRecord accession='P06280' position='112' wt_aa='R' new_aa='C' type='PD'>R112C</MutationRecord>
<MutationRecord accession='P06280' position='313' wt_aa='D' new_aa='Y' type='PD'>D313Y</MutationRecord>
<MutationRecord accession='P06280' position='34' wt_aa='N' new_aa='S' type='PD'>N34S</MutationRecord>
<MutationRecord accession='P06280' position='66' wt_aa='E' new_aa='Q' type='PD'>E66Q</MutationRecord>
<MutationRecord accession='P06280' position='156' wt_aa='A' new_aa='T' type='PD'>A156T</MutationRecord>
<MutationRecord accession='P06280' position='269' wt_aa='V' new_aa='A' type='PD'>V269A</MutationRecord>
<MutationRecord accession='P06280' position='356' wt_aa='R' new_aa='W' type='PD'>R356W</MutationRecord>
<MutationRecord accession='P06280' position='40' wt_aa='P' new_aa='S' type='PD'>P40S</MutationRecord>
<MutationRecord accession='P06280' position='297' wt_aa='S' new_aa='F' type='PD'>S297F</MutationRecord>
<MutationRecord accession='P06280' position='279' wt_aa='Q' new_aa='E' type='PD'>Q279E</MutationRecord>
<MutationRecord accession='P06280' position='116' wt_aa='I' new_aa='S' type='SNP'>I116S</MutationRecord>
<MutationRecord accession='P06280' position='56' wt_aa='C' new_aa='G' type='PD'>C56G</MutationRecord>
<MutationRecord accession='P06280' position='227' wt_aa='R' new_aa='Q' type='PD'>R227Q</MutationRecord>
<MutationRecord accession='P06280' position='162' wt_aa='W' new_aa='R' type='PD'>W162R</MutationRecord>
<MutationRecord accession='P06280' position='328' wt_aa='G' new_aa='R' type='PD'>G328R</MutationRecord>
<MutationRecord accession='P06280' position='328' wt_aa='G' new_aa='A' type='PD'>G328A</MutationRecord>
<MutationRecord accession='P06280' position='327' wt_aa='Q' new_aa='K' type='PD'>Q327K</MutationRecord>
<MutationRecord accession='P06280' position='410' wt_aa='T' new_aa='A' type='PD'>T410A</MutationRecord>
<MutationRecord accession='P06280' position='296' wt_aa='M' new_aa='I' type='PD'>M296I</MutationRecord>
<MutationRecord accession='P06280' position='272' wt_aa='N' new_aa='S' type='PD'>N272S</MutationRecord>
<MutationRecord accession='P06280' position='296' wt_aa='M' new_aa='V' type='PD'>M296V</MutationRecord>
</SAAPdbMutations>

</SAAPdb_GetMutationsbySWACCResponse>
		
   SAAPdb_Number_of_MutationsbySWACC
This web-service returns the number of mutations in SAAPdb for a given Uniprot Accession Number
The input is an Uniprot accession number, for example: P06280
The returned XML response contains the following information:
<SAAPdb_Number_of_MutationsbySWACCResponse xmlns="http://3dsim.bioinfo.cnio.es/WEBSERVICE">
	<NumberofSAAPdbMutations accession='P06280'>32</NumberofSAAPdbMutations>
</SAAPdb_Number_of_MutationsbySWACCResponse><