Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMPLGLLWLGLALLGALHAQAQDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGCQPGEFTLGNIKSYPGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKENFIRFSKSLGLPENHIVFPVPIDQCIDG
4ZHG Chain:A (4-180)---------------------DSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGSQPGEFTLGNIKSYPGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKENFIRFSKSLGLPENHIVFPVPIDQCIDG
Receptor file (based on 4ZHG) :4ZHG_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4ZHG
Information :PDB METAL BINDING PROTEIN/INHIBITOR 24-APR-15 XXXX

Ligand:

Ligand pdb file :4ZHG_4OL_A_8.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :4OL_A_8
Ligand Type:non-polymer
Ligand Weight:750.712
Ligand Info:N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide]
Cofactor(s):
4ZHG/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4ZHG_4OL_A_8_Into_4ZHG_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):7.79 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):10.15 [pKd]
Docking affinity (XScore Software):6.04 [pKd]
Docking affinity (DSX-Score Software):7.05 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):7.8 [pKd]

Useful files:

Alignment file with ligand : complex.pir