Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMPLGLLWLGLALLGALHAQAQDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGCQPGEFTLGNIKSYPGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKENFIRFSKSLGLPENHIVFPVPIDQCIDG
3HWF Chain:A (25-197)------------------------SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGSQPGEFTLGNIKSYPGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKENFIRFSKSLGLPENHIVFPVPIDQCID-
Receptor file (based on 3HWF) :3HWF_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :3HWF
Information :PDB TRANSPORT PROTEIN 17-JUN-09 XXXX

Ligand:

Ligand pdb file :3HWF_TC2_A_8.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :TC2_A_8
Ligand Type:non-polymer
Ligand Weight:555.543
Ligand Info:N-{2-[BIS(2-{[(2,3-DIHYDROXYPHENYL)CARBONYL]AMINO}ETHYL)AMINO]ETHYL}-1-HYDROXY-6-OXO-1,6-DIHYDROPYRIDINE-2-CARBOXAMIDE
Cofactor(s):
3HWF/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 3HWF_TC2_A_8_Into_3HWF_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):6.32 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):7.27 [pKd]
Docking affinity (XScore Software):4.45 [pKd]
Docking affinity (DSX-Score Software):6.32 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):6.1 [pKd]

Useful files:

Alignment file with ligand : complex.pir