Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMGGRSSCEDPGCPRDEERAPRMGCMKSKFLQVGGNTFSKTETSASPHCPVYVPDPTSTIKPGPNSHNSNTPGIREAGSEDIIVVALYDYEAIHHEDLSFQKGDQMVVLEESGEWWKARSLATRKEGYIPSNYVARVDSLETEEWFFKGISRKDAERQLLAPGNMLGSFMIRDSETTKGSYSLSVRDYDPRQGDTVKHYKIRTLDNGGFYISPRSTFSTLQELVDHYKKGNDGLCQKLSVPCMSSKPQKPWEKDAWEIPRESLKLEKKLGAGQFGEVWMATYNKHTKVAVKTMKPGSMSVEAFLAEANVMKTLQHDKLVKLHAVVTKE-PIYIITEFMAKGSLLDFLKSDEGSKQPLPKLIDFSAQIAEGMAFIEQRNYIHRDLRAANILVSASLVCKIADFGLARVIEDNEYTAREGAKFPIKWTAPEAINFGSFTIKSDVWSFGILLMEIVTYGRIPYPGMSNPEVIRALERGYRMPRPENCPEELYNIMMRCWKNRPEERPTFEYIQSVLDDFYTATESQYQQQP
2ZV9 Chain:A (6-268)-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AWEIPRESIKLVKKLGAGQFGEVWMGYYNNSTKVAVKTLKPGTMSVQAFLEEANLMKTLQHDKLVRLYAVVTKEEPIYIITEFMAKGSLLDFLKSDEGGKVLLPKLIDFSAQIAEGMAYIERKNYIHRDLRAANVLVSESLMCKIADFGLARVIE--------GAKFPIKWTAPEAINFGCFTIKSNVWSFGILLYEIVTYGKIPYPGRTNADVMSALSQGYRMPRMENCPDELYDIMKMCWKEKAEERPTFDYLQSVLDDFY-----------
Receptor file (based on 2ZV9) :2ZV9_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2ZV9
Information :PDB TRANSFERASE 04-NOV-08 XXXX

Ligand:

Ligand pdb file :2ZV9_PP2_A_2.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :PP2_A_2
Ligand Type:non-polymer
Ligand Weight:302.786
Ligand Info:1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
Cofactor(s):
2ZV9/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2ZV9_PP2_A_2_Into_2ZV9_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-3.57 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-4.40 [pKa]
Docking affinity (XScore Software):-9.19 [pKa]
Docking affinity (DSX-Score Software):-5.89 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-5.8 [pKa]

Useful files:

Alignment file with ligand : complex.pir