Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMWQAISHLLNEQLGEGDIELRNELPGGEIHAAWHLRFAGRDLFVKCDERELLPIFTAEADQLELLSRSKTVSVPKVWALGS------DRDYSFLVMDYLPARPLDA---HNAFLLGQQIARLHQWSDQPQFGLDFDNDLSTTPQPNAWQRRWSTFFAEQRIGWQ-------LEL----AAEKGLAFGNIDAIVDHVHQR-----LASHQPQPSLLHGDLWSENCALGPN-GPYIFD-PACFWGDRECDLAMLPLH---------PEQPPQIYDGYQAVSPLPPDFLDRQPIYQLYTLFNRAILFGGEHLVNAQRALDRVLAA
2Q83 Chain:A (22-298)----LAENVLQGWDV-QAEKIDVIQ----ALVWKVHTDSGAVCLKRIHRP-EKKALFSIFAQDYLAKK-GMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFELTVKQDLEFIMKGLADFHTASVGYQPPNGV----PIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWDDETFNVMLNAYESRAPLTEEQKQV----------------------------------
Receptor file (based on 2Q83) :2Q83_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2Q83
Information :PDB TRANSFERASE 08-JUN-07 XXXX

Ligand:

Ligand pdb file :2Q83_ADN_A_5.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ADN_A_5
Ligand Type:non-polymer
Ligand Weight:267.244
Ligand Info:ADENOSINE
Cofactor(s):
2Q83/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2Q83_ADN_A_5_Into_2Q83_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):0.59 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):1.48 [pKd]
Docking affinity (XScore Software):6.7 [pKd]
Docking affinity (DSX-Score Software):4.87 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):3.4 [pKd]

Useful files:

Alignment file with ligand : complex.pir