Protein/Ligand Complex result page :


Receptor Model:

Query sequence-----------------------------MITKAEASKWRLSDLEMRETVGTG-TFGRVRLVKHKGT-GQYAALKILKKQEILRM-KQVDHVMAEASLLQEID-HPFIVSMLRGYMDKNRLYILLEYVVGGELFSHLRKA-GKFPNDVSKFYCAEVILAFDYLHNKT--IVYRDLKPENILLD-QDGNIKITDFGFAKRVTERT---FTLCGTPEYLAPEIIQSK---GHNKAVDWWALGILLYEMLVGY-PPFFDDSPMKIYEKILVG------KVLFPRWVDSKARDFIKGLLSLDPTKRLGSLPNGTEDIKNHKYFAEVD---WNVVLSKKIPAPIPVRQHKEGDTHYFDKYPDSPLNSLRTLTPAQQDCFANFCNGQYTDE
1CDK Chain:A (8-350)KGSEQESVKEFLAKAKEDFLKKWENPAQNTA------H--LDQFERIKTLGT-GSFGRVMLVKHKETG-NHFAMKILDKQKVVK-LKQIEHTLNEKRILQAV-NFPFLVKLEYSFKDNSNLYMVMEYVPGGEMFSHLRR-IGRFSEPHARFYAAQIVLTFEYLHS--LDLIYRDLKPENLLIDQ-QGYIQVTDFGFAKRV-K--GRTWTLCGTPEYLAPEIILS-KGY--NKAVDWWALGVLIYEMAAG-YPPFFADQPIQIYEKIVSGKVRFPS------HFSSDLKDLLRNLLQVDLTKRFGNLKDGVNDIKNHKWFA---TTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEI--RVSI--------NEKCGKEFSEF
Receptor file (based on 1CDK) :1CDK_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1CDK
Information :PDB TRANSFERASE/TRANSFERASE INHIBITOR 04-JUL-94 XXXX

Ligand:

Ligand pdb file :1CDK_ANP_A_7.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ANP_A_7
Ligand Type:non-polymer
Ligand Weight:506.199
Ligand Info:PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Cofactor(s):
1CDK/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1CDK_ANP_A_7_Into_1CDK_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):Error [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):8.62 [pKd]
Docking affinity (XScore Software):10.49 [pKd]
Docking affinity (DSX-Score Software):7.33 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):8.8 [pKd]

Useful files:

Alignment file with ligand : complex.pir