Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTQYTAQSLEVLSGLDPVRRRPGMYTD----TSRPNHLAQEVIDNAVDEALAGHADKICVTVYKDGSLSVEDNGRGMPVDIHPEYGQSGIEIILTKLHAGGKFSTDNYQFSGGLHGVGISVVNALSTRVEVEVQRQGNLYQMAFEQGEPVAPLAVLEGKAPKRATGTTVRFWPEAKYFDS-PKFALKALKHNLKAKAVLAAGLKITYIDQINDEKIEWQFENGLVDYLMDELQDREILPNPAFVSSGQ-ADRAACEFAICWNVEGG-EQVQESYVNLIPTAQGGTHVNGLRSGVTEALREFCELRNLLPR-NLKLSAEDVWDGVNYILSLKFQEPQFSGQTKERLSSREAANIVLNIAKDAFALWLNQHAEIAMQLAEMVISKAGRRLKAAKKVERKKIVSGPALPGKLADCVGQTREESELFIVEGDSAGGSAKQARDKNFQAIMPIRGKILNTWEVSSDEVLASQEVHDIAIAIGVDPGSDDLSELRYGKICILADADSDGLHIATLLCALFVKHFPALVEEGHLYVAMPPLFRIDIGKDVHYALDDEELETILKNVKGNKNPQITRFKGLGEMNAIQLRETTMDPNTRRLVQLDLDDAHLTAGLLDKLLAKKRAADRKQWLEQKGNLADITV
1EI1 Chain:B (2-386)-NSSDSSSIKVLKGLDAVRKRPGMYIGDTDDGTGLHHMVFEVVDNAIDEALAGHCKEIIVTIHADNSVSVQDDGRGIPTGIHPEEGVSAAEVIMTVLHAGGKFDDNSYKVSGGLHGVGVSVVNALSQKLELVIQREGKIHRQIYEHGVPQAPLAVT-G--ETEKTGTMVRFWPSLETFTNVTEFEYEILAKRLRELSFLDSGVSIRLRDKRDGKEDHFHYEGGIKAFVEYLNKNKTPIHPNIFYFSTEKDGI-GVEVALQWN-DGFQE-NIYCFTNNIPQRDGGTHLAGFRAAMTRTLNAYMDKEGYSKKAKVSATGDDAREGLIAVVSVKVPDPKFSSQTKDKLVSSEVKSAVEQQMNELLAEYLLENPTDAKIVVGKIIDAARAREAARR---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Receptor file (based on 1EI1) :1EI1_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1EI1
Information :PDB ISOMERASE 23-FEB-00 XXXX

Ligand:

Ligand pdb file :1EI1_ANP_B_7.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ANP_B_7
Ligand Type:non-polymer
Ligand Weight:506.199
Ligand Info:PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Cofactor(s):
1EI1/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1EI1_ANP_B_7_Into_1EI1_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):2.03 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):9.09 [pKd]
Docking affinity (XScore Software):11.77 [pKd]
Docking affinity (DSX-Score Software):7.33 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):7.6 [pKd]

Useful files:

Alignment file with ligand : complex.pir