Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMKALLLKTSVWLVLLFSVMGLWQVSNAAEQYTPIKAHVVTTIDKATTDKQQVTPTKEAAHQFGEEAATNVSASAQGTADEINNKVTSNAFSNKPSTAVSTKVNETHDVDTQQASTQKPTQSATFTLSNAKTASLSPRMFAANVPQTTTHKILHTNDIHGR--------LAEEKGRVIGMAKLKTIKEQEKPD----LMLDAGDAFQGLPLSNQSKGEEMAKAMNAVGYDAMAVGNHEFDFGYDQLKKLEGMLDFPMLSTNV-YKDGKRAF--KPSTIVTKNGIRYGIIGVTTPETKTKTRPEGIK-GVEFRDPLQSVTAEMMRIYKDVDTFVVISHLGIDPSTQETWRGDYLVKQLSQNPQLKKRI----TVIDGHSHTVLQNGQIYNNDALAQTGTALANIGKVTFNYRNGEVSNIKPSLINVKDVENVT-------PNKALAEQINQADQTFRAQTAEVI---IPNNTIDFKGERDDVRTRETNLGNAIADAMEAYGVKNFSKKTDFAVTNGGGIRASIAKGKVTRYDLISVLPFGNTIAQIDVKGSDVWTAFEHSLGAPTTQKDGKTVLTANGGLLHISDSIRVYYDMNKPSGKRINAIQILNKETGKFENIDLKRVYHVTMNDFTASGGDGYSMF--GGPRE--EGISLDQVLASYLKTANIAKYDTTEPQRMLLGKPAVSEQPAKGQQGSKGSESGKDVQPIGDDKAMNPAKQPATGKVVLLPTHRGTVSSGTEGSGRTLEGATVSSKSGNQLVRMSVPKGSAHEKQLPKTGTNQSSSPAAMFVLVAGIGLIATVRRRKAS
3IVD Chain:A (9-485)------------------------------------------------------------------------------------------------------------------------------------------------------IIYTNDLHAHVEPYKVPWIADGKRDIGGWANITTLVKQEKAKNKATWFFDAGDYFTGPYISSLTKGKAIIDIMNTMPFDAVTIGNHEFDHGWDNTLLQLSQAKFPIVQGNIFYQNSSKSFWDKPYTIIEKDGVKIGVIGLHGVFAFNDTVSAATRVGIEARDEIKWLQRYIDELKGKVDLTVALIHEGV-PARQSSMGGTDVRRALDKDIQTASQVKGLDILITGHAHVGTPEPIKVGNTLILSTDSGGIDVGKLVLDYKE------KPHNFTVKNFELKTIYADEWKPD----QQTKQVIDGWNKKLDEVVQQTVAQSPVELK----RAYGESASLGNLAADALLAAAGKN----TQLALTNSGGIRNEIPAGAITMGGVISTFPFPNELVTMELTGKQLRSLMEH--GA-----------SLSNGVLQVSKGLEMKYDSSKPVGQRVITLTLNGKP------IEDATVYHIATQSFLADGGDGFTAFTEGKARNITGGYYVYHAVVDYFKAGN---------------------------------------------------------------------------------------------------------------------------------------------
Receptor file (based on 3IVD) :3IVD_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :3IVD
Information :PDB HYDROLASE 31-AUG-09 XXXX

Ligand:

Ligand pdb file :3IVD_URI_A_5.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :URI_A_5
Ligand Type:non-polymer
Ligand Weight:244.204
Ligand Info:URIDINE
Cofactor(s):
3IVD/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 3IVD_URI_A_5_Into_3IVD_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-4.95 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-5.74 [pKa]
Docking affinity (XScore Software):-6.89 [pKa]
Docking affinity (DSX-Score Software):-6.25 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-6.0 [pKa]

Useful files:

Alignment file with ligand : complex.pir