Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMPLGLLWLGLALLGALHAQAQDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGCQPGEFTLGNIKSYPGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKENFIRFSKSLGLPENHIVFPVPIDQCIDG
4K19 Chain:A (7-180)------------------------SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGSQPGEFTLGNIKSYPGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKENFIRFSKSLGLPENHIVFPVPIDQCIDG
Receptor file (based on 4K19) :4K19_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4K19
Information :PDB METAL BINDING PROTEIN/INHIBITOR 04-APR-13 XXXX

Ligand:

Ligand pdb file :4K19_1OD_A_9.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :1OD_A_9
Ligand Type:non-polymer
Ligand Weight:622.630
Ligand Info:(4S,5R)-N,N-BIS{3-[(2,3-DIHYDROXYBENZOYL)AMINO]PROPYL}-2-(2,3-DIHYDROXYPHENYL)-5-METHYL-4,5-DIHYDRO-1,3-OXAZOLE-4-CARBOXAMIDE
Cofactor(s):
4K19/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4K19_1OD_A_9_Into_4K19_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):6.12 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):14.79 [pKd]
Docking affinity (XScore Software):6.02 [pKd]
Docking affinity (DSX-Score Software):6.92 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):8.5 [pKd]

Useful files:

Alignment file with ligand : complex.pir