Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMKVAIVHNKEAKTIEVTERLNALLEQAGIQRDDHEPELVISVGGDGTLLSAFHHYSHCLNDVRFLGVHTGHLGFYTDWRDYELEELVDSLRTNREQSVSYPLLDVRISYLDETPDQHFLALNESTIKRANRTMVADVYIKNELFESFRGDGLTISTPTGSTAYNKSVGGAVIHPSINAFQLAEIASLNNRVFRTLGSPIVIAHDEWLEIKLENTEDYLVTVDQLNVAKANIRSIYYRIAEERIHFASYRHMHFWHRVKDAFISED
4DY6 Chain:A (1-263)MKYMITSKGDEKSDLLRLNMIAGFGEYDMEYDDVEPEIVISIGGDGTFLSAFHQYEERLDEIAFIGIHTGHLGFYADWRPAEADKLVKLLAKGEYQKVSYPLLKTTVKY-----EATYLALNESTVKSSGGPFVVDVVINDIHFERFRGDGLCMSTPSGTTAYNKSLGGALMHPSIEAMQLTEMASINNRVYRTIGSPLVFPKHHVVSLQPVNDKDFQISVDHLSILHRDVQEIRYEVSAKKIHFARFRSFPFWRRVHDSFIE--
Receptor file (based on 4DY6) :4DY6_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4DY6
Information :PDB TRANSFERASE 28-FEB-12 XXXX

Ligand:

Ligand pdb file :4DY6_A22_A_2.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :A22_A_2
Ligand Type:non-polymer
Ligand Weight:756.412
Ligand Info:[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Cofactor(s):
4DY6/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4DY6_A22_A_2_Into_4DY6_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):4.26 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):5.83 [pKd]
Docking affinity (XScore Software):13.06 [pKd]
Docking affinity (DSX-Score Software):7.20 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):7.6 [pKd]

Useful files:

Alignment file with ligand : complex.pir