Protein/Ligand Complex result page :


Receptor Model:

Query sequence------MNLEKWIEEKFNTTKYTLEKTDKGISNHNYILTINDTKYMIRVPKKNHESLGLQHEHEKKILTLVS---DLDVPTVLFD-EKEGIKVTHYIEDVKTFNECK-----------------------------DKDKFARCANLM--KSLHTKKAPLFIFNPFGKIEF--YKSQIKECIVSFPNEENF---LEALKKEYK--PNTLCHNDFVQGNILYSDTKDYLIDYEYAAKNDYRFDIASFFSENNIHYIDQRDQFYQTYFDGEIDPMIDVQVQAFERMEDI-------LWGYWANMLYEQRGEQIYFDIAKDKEKHYRG---------------------------------------------------
2OLC Chain:A (5-396)KTPLYETLNESSAVALAVKLGLTLTCQEIGDGNLNYVFHIYDRALIIKQAVPYWPLTIDRARIESSALIRQGEHVPHLVPRVFYSDTEMAVTVMEDLSHLKIARKGLIEGENYPHLSQHIGEFLGKTLFYSSDYALEPKVKKQLVKQFTNPELCDITERLVFTDPFFDHDTNDFEEELRPFVEKLWNNDSVKIEAAKLKKSFLTSAETLIHGDLHTGSIFASEHETKVIDPEFAFYGPIGFDVGQFIANLFLNALSRDGADREPLYEHVNQVWETFEETFSEAWQKDSLDVYANIDGYLTDTLSHIFEEAIGFAGCELIRRTIGLAHVADLDTIVPFDKRIGRKRLALETGTAFIEKRSEFKTITDVIELFKLLVK
Receptor file (based on 2OLC) :2OLC_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2OLC
Information :PDB TRANSFERASE 18-JAN-07 XXXX

Ligand:

Ligand pdb file :2OLC_ADP_A_6.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ADP_A_6
Ligand Type:non-polymer
Ligand Weight:427.203
Ligand Info:ADENOSINE-5'-DIPHOSPHATE
Cofactor(s):
2OLC/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2OLC_ADP_A_6_Into_2OLC_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):0 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):2.21 [pKd]
Docking affinity (XScore Software):8.76 [pKd]
Docking affinity (DSX-Score Software):5.16 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):5.4 [pKd]

Useful files:

Alignment file with ligand : complex.pir