Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTKLLVGLGNPGDKYFETKHNVGFMLIDQLAKKQNVTFTHDKIFQADLASFFLNGEKIYLVKPTTFMNESGKAVHALLTYYGLDIDDLLIIYDDLDMEVGKIRLRAKGSAGGHNGIKSIIQHIGTQ-VFNRVKIGIGRPKNGMSVVHHVLSKFDRDDYIGILQSIDKVDDSVNYYLQEKKFEKTMQRYNG
4DJJ Chain:B (5-168)--QLIVGLGNPGPEYDQTRHNAGALFVERLAHAQGVSLVADRKYFGLVGKFSHQGKDVRLLIPTTYMNRSGQSVAALAGFFRIAPDAILVAHDELDMPPGVAKLKTGGGHGGHNGLRDIIAQLGNQNSFHRLRLGIGHPGHSSLVSGYVLGRAPRSEQELLDTSID------------------------
Receptor file (based on 4DJJ) :4DJJ_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4DJJ
Information :PDB HYDROLASE 02-FEB-12 XXXX

Ligand:

Ligand pdb file :4DJJ_PML_B_4.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :PML_B_4
Ligand Type:non-polymer
Ligand Weight:160.169
Ligand Info:PIMELIC ACID
Cofactor(s):
4DJJ/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4DJJ_PML_B_4_Into_4DJJ_CHAIN_B.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):2.47 [pKd]
Docking affinity (XScore Software):3.38 [pKd]
Docking affinity (DSX-Score Software):4.56 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):3.5 [pKd]

Useful files:

Alignment file with ligand : complex.pir