Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSGSTITPWVVGNWKMNPMRANANQLIEEFKQLLQQNQIADENCHVGVAPVSIALTTVQAQLQDAARTVYTVAQDVSRVAGTGAYTGEVSAELLKDSQINFVLVGHSERRDIFGDNVEILKAKLQNALNAGMTVIYCVGESLEQREQGQAEQVVLQQICDIAPVVTAEQWQNQVVIAYEPIWAIGTGKTASPQDAQAMHAKIREGLCQLT-PAGSNIAILYGGSVKAENAVELAACPDINGALVGGASLNAASFYQIVQAFAQSK
4MVA Chain:A (25-276)----MRHPLVMGNWKLNGSRHMVHELVSNLRKELA----GVAGCAVAIAPPEMYIDMAKREAE--GSHIMLGAQNVD-LNLSGAFTGETSAAMLKDIGAQYIIIGHSERRTYHKESDELIAKKFAVLKEQGLTPVLCIGETEAENEAGKTEEVCARQIDAVLKTQGAAAFE-GAVIAYEPVWAIGTGKSATPAQAQAVHKFIRDHIAKVDANIAEQVIIQYGGSVNASNAAELFAQPDIDGALVGGASLKADAFAVIVKAAEAA-
Receptor file (based on 4MVA) :4MVA_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4MVA
Information :PDB ISOMERASE 23-SEP-13 XXXX

Ligand:

Ligand pdb file :4MVA_UVW_A_4.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :UVW_A_4
Ligand Type:non-polymer
Ligand Weight:140.032
Ligand Info:ACETYLPHOSPHATE
Cofactor(s):
4MVA/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4MVA_UVW_A_4_Into_4MVA_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):0 [pKd]
Docking affinity (XScore Software):3.61 [pKd]
Docking affinity (DSX-Score Software):3.79 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):3.7 [pKd]

Useful files:

Alignment file with ligand : complex.pir