Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMKVAIVHNKEAKTIEVTERLNALLEQAGIQRDDHEPELVISVGGDGTLLSAFHHYSHCLNDVRFLGVHTGHLGFYTDWRDYELEELVDSLRTNREQSVSYPLLDVRISYLDETPDQHFLALNESTIKRANRTMVADVYIKNELFESFRGDGLTISTPTGSTAYNKSVGGAVIHPSINAFQLAEIASLNNRVFRTLGSPIVIAHDEWLEIKLENTEDYLVTVDQLNVAKANIRSIYYRIAEERIHFASYRHMHFWHRVKDAFISED
5EJH Chain:A (1-263)MKYMITSKGDEKSDLLRLNMIAGFGEYDMEYDDVEPEIVISIGGDGTFLSAFHQYEERLDEIAFIGIHTGHLGFYADWRPAEADKLVKLLAKGEYQKSSYPLLKTTVKY----KEATYLALNESTVKSSGGPFVVDVVINDIHFERFRGDGLCMSTPSGTTAYNKSLGGALMHPSIEAMQLTEMASINNRVYRTIGSPLVFPKHHVVSLQPVNDKDFQISVDHLSILHRDVQEIRYEVSAKKIHFARFRSFPFWRRVHDSFIE--
Receptor file (based on 5EJH) :5EJH_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :5EJH
Information :PDB TRANSFERASE 01-NOV-15 XXXX

Ligand:

Ligand pdb file :5EJH_NAP_A_2.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :NAP_A_2
Ligand Type:non-polymer
Ligand Weight:743.405
Ligand Info:NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Cofactor(s):
5EJH/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 5EJH_NAP_A_2_Into_5EJH_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):5.44 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):6.83 [pKd]
Docking affinity (XScore Software):12.18 [pKd]
Docking affinity (DSX-Score Software):7.53 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):8.0 [pKd]

Useful files:

Alignment file with ligand : complex.pir