Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSNATKFGKVAVLLGGKSAERAVSLDSGQAVLDALLRSGVQAEAFDPQDRSVTEL--VNYDRAFIVLHGRGGEDGQIQGVLEWLNIPYTGTGVQGSAIGMDKVKTKQIWQGSDLPTAPYRIITK---ETDL-DSVIAE---LGLPVIIKPVHEGSSVGMSKVEKAEDFAAAIEKATQHDAVVMAEKWITGREFTISFLNGQPLPVIRLQPPADVAFYDYEAKYQRNDVEYGIPCGLSETEEKKLQALCLRAFQAVGAEGWGRIDAMQDEQGNFWLLEVNTVPGMTSHSLVPKATKAVGYSFDELCVAILEQTLEGTA
4C5C Chain:B (25-327)-----MTDKIAVLLGGTSAEREVSLNSGAAVLAGLREGGIDAYPVDPKEVDVTQLKSMGFQKVFIALHGRGGEDGTLQGMLELMGLPYTGSGVMASALSMDKLRSKLLWQGAGLPVAPWVALTRAEFEKGLSDKQLAEISALGLPVIVKPSREGSSVGMSKVVAENALQDALRLAFQHDEEVLIEKWLSGPEFTVAILGEEILPSIRIQPSG--TFYDYEAKYLSDETQYFCPAGLEASQEANLQALVLKAWTTLGCKGWGRIDVMLDSDGQFYLLEANTSPGMTSHSLVPMAARQAGMSFSQLVVRILE-------
Receptor file (based on 4C5C) :4C5C_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4C5C
Information :PDB LIGASE 10-SEP-13 XXXX

Ligand:

Ligand pdb file :4C5C_ATP_B_11.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ATP_B_11
Ligand Type:non-polymer
Ligand Weight:507.183
Ligand Info:ADENOSINE-5'-TRIPHOSPHATE
Cofactor(s):
4C5C/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4C5C_ATP_B_11_Into_4C5C_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):5.69 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):8.66 [pKd]
Docking affinity (XScore Software):11.96 [pKd]
Docking affinity (DSX-Score Software):7.40 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):8.4 [pKd]

Useful files:

Alignment file with ligand : complex.pir