Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMKALLLKTSVWLVLLFSVMGLWQVSNAAEQYTPIKAHVVTTIDKATTDKQQVTPTKEAAHQFGEEAATNVSASAQGTADEINNKVTSNAFSNKPSTAVSTKVNETHDVDTQQASTQKPTQSATFTLSNAKTASLSPRMFAANVPQTTTHKI--LHTNDIHGRLAEEKGRVIGMAKLKTIKEQEKPD--------LMLDAGDAFQGLPLSNQSKGEEMAKAMNAVGYDAMAVGNHEFDFGYDQLKKLEGMLDFPMLSTNVYKD--GKRAFKPSTIVTKNGIRYGIIGVTTPETKTKTRPEGIKGVEFRDPLQS---VTAEMMRIYKDVDTFVVISHLGI---------DPSTQETWRG------DYLVKQLSQNPQL-----KKRITVIDGHSHTVLQNGQIYNNDALAQTGTALANIGKVTFNYRNGEVSNIKPSLINVKDVENVTPNKALAEQINQADQTFRAQTA---------------EVIIPNNTIDFKGERDDVRTRETNLGNAI-ADAMEAYGVKNFSKKTDFAVTNGGGIRASIAKGKVTRYDLISVLPFGNTIAQIDVKGSDVWTAFEHSLGAPTTQKDGKTVLTANGGLLHISDSIRVYYDMNKPSGKRINAIQILNKETGKFENIDLKRVYHVTMNDFTASGGDGYSMFG---GPREEGISLDQVLASYLKTANIAKYDTTEPQRMLLGKPAVSEQPAKGQQGSKGSESGKDVQPIGDDKAMNPAKQPATGKVVLLPTHRGTVSSGTEGSGRTLEGATVSSKSGNQLVRMSVPKGSAHEKQLPKTGTNQSSSPAAMFVLVAGIGLIATVRRRKAS
1HO5 Chain:A (3-519)------------------------------------------------------------------------------------------------------------------------------------------------QDKTYKITVLHTNDHHGHFWRNEYGEYGLAAQKTLVDGIRKEVAAEGGSVLLLSGGDINTGVPESDLQDAEPDFRGMNLVGYDAMAIGNHEFDNPLTVLRQQEKWAKFPLLSANIYQKSTGERLFKPWALFKRQDLKIAVIGLTTDDTAKIGNPEYFTDIEFRKPADEAKLVIQELQQTEKP-DIIIAATHMGHYDNGEHGSNAPGDVEMARALPAGSLAMIVGGHSQDPVCMAAENKKQVDYVPGTPCKPDQQNGIW----IVQAHEWGKYVGRADFEFRNGEMKMVNYQLIPVNLKKKVTWEDGKSERVLYTPEIAENQQMISLLSPFQNKGKAQLEVKIGETNGRLEGDRDKVRFVQTNMGRLILAAQMDRTG-------ADFAVMSGGGIRDSIEAGDISYKNVLKVQPFGNVVVYADMTGKEV---IDYLTAVAQMKPD-------SGAYPQFANVSFVAKD------GKLNDLKI------KGEPVDPAKTYRMATLNFNATGGDGYPRLDNKPGYVNTGFIDAEVLKAYIQKSSPLDVSVYEPK-----------------------------------------------------------------------------------------------------------------------------------
Receptor file (based on 1HO5) :1HO5_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1HO5
Information :PDB HYDROLASE 08-DEC-00 XXXX

Ligand:

Ligand pdb file :1HO5_ADN_A_9.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ADN_A_9
Ligand Type:non-polymer
Ligand Weight:267.244
Ligand Info:ADENOSINE
Cofactor(s):
1HO5/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1HO5_ADN_A_9_Into_1HO5_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-2.80 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-4.62 [pKa]
Docking affinity (XScore Software):-7.96 [pKa]
Docking affinity (DSX-Score Software):-6.48 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-5.5 [pKa]

Useful files:

Alignment file with ligand : complex.pir