Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMVIDFKQDILAPVATDFAAMDHLINEGISSKVGLVMSVSKHVVEAGGKRMRPIMCLLAARACGLDNMQNAQRLAAIIEMLHTATLVHDDV--VDESGLRRGRPTANATWNNQTAVLVGDFLIARAFDLLVDLNN-------MTLLKDF--STGTCEIAEGEVLQLQSQHQPDTTEETYLKIIHGKTSRLFELATEGAAILAG-QEAYREPLRLFAGHFGNAFQIIDDILDYTSDAETLGKNIGDDLMEGKPTLPLISALAHSTGEEHAIIRRSIATGGVDQLPKVIEIVQKSGALDYCQRRAQEETEAALQALSILPDTPYRQALINLTRLALHRIQ
3KRF Chain:D (41-249)--------------------------------------------AGGKRVRPMLCIAACELVGGDE-STAMPAACAVEMIHTMSLMHDDLPCMDNDDLRRGKPTNHMAFGESVAVLAGDALLSFAFEHVAAATKGAPPERIVRVLGELAVSIGSEGLVAGQVVDVCSEGMAEVGLDHLEFIHHHKTAALLQGSVVLGAILGGGKEEEVAKLRKFANCIGLLFQVVDDILDVTKSSKELGKTAGKDLVADKTTYP-----------------------------------------------------------------------------------
Receptor file (based on 3KRF) :3KRF_CHAIN_D.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :3KRF
Information :PDB TRANSFERASE 18-NOV-09 XXXX

Ligand:

Ligand pdb file :3KRF_DST_D_11.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :DST_D_11
Ligand Type:non-polymer
Ligand Weight:264.170
Ligand Info:DIMETHYLALLYL S-THIOLODIPHOSPHATE
Cofactor(s):
3KRF/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 3KRF_DST_D_11_Into_3KRF_CHAIN_D.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):1.14 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):3.02 [pKd]
Docking affinity (XScore Software):5.36 [pKd]
Docking affinity (DSX-Score Software):5.13 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):3.7 [pKd]

Useful files:

Alignment file with ligand : complex.pir