Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMWSWKCLLFWAVLVTATLCTARPSPTLPEQAQPWGAPVEVESFLVHPGDLLQLRCRLRDDVQSINWLRDGVQLAESNRTRITGEEVEVQDSVPADSGLYACVTSSPSGSDTTYFSVNVSDALPSSEDDDDDDDSSSEEKETDNTKPNRMPVAPYWTSPEKMEKKLHAVPAAKTVKFKCPSSGTPNPTLRWLKNGKEFKPDHRIGGYKVRYATWSIIMDSVVPSDKGNYTCIVENEYGSINHTYQLDVVERSPHRPILQAGLPANKTVALGSNVEFMCKVYSDPQPHIQWLKHIEVNGSKIGPDNLPYVQILKTAGVNTTDKEMEVLHLRNVSFEDAGEYTCLAGNSIGLSHHSAWLTVLEALEERPAVMTSPLYLEIIIYCTGAFLISCMVGSVIVYKMKSGTKKSDFHSQMAVHKLAKSIPLRRQVTVSADSSASMNSGVLLVRPSRLSSSGTPMLAGVSEYELPEDPRWELPRDRLVLGKPLGEGCFGQVVLAEAIGLDKDKPNRVTKVAVKMLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKGNLREYLQARRPPGLEYCYNPSHNPEEQLSSKDLVSCAYQVARGMEYLASKKCIHRDLAARNVLVTEDNVMKIADFGLARDIHHIDYYKKTTNGRLPVKWMAPEALFDRIYTHQSDVWSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEGHRMDKPSNCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRIVALTSNQEYLDLSMPLDQYSPSFPDTRSSTCSSGEDSVFSHEPLPEEPCLPRHPAQLANGGLKRR
2Q0B Chain:A (24-321)--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LPEDPKWEFPRDKLTLGKPL-----GQVVMAEAVGIDKDKPKEAVTVAVKMLKDDATEKDLSDLVSEMEMMKMIGKHKNIINLLGACTQDGPLYVIVAYASKGNLREYLRARRP-------------EEQMTFKDLVSCTYQLARGMEYLASQKCIHRDLAARNVLVTENNVMKIADFGLARDINNIDYYKKTTNGRLPVKWMAPEALFDRVYTHQSDVWSFGVLMWEIFTLGGSPYPGIPVEELFKLLKEGHRMDKPANCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRILTLTT------------------------------------------------------------
Receptor file (based on 2Q0B) :2Q0B_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2Q0B
Information :PDB TRANSFERASE 21-MAY-07 XXXX

Ligand:

Ligand pdb file :2Q0B_ABG_A_7.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ABG_A_7
Ligand Type:non-polymer
Ligand Weight:505.211
Ligand Info:ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE
Cofactor(s):
2Q0B/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2Q0B_ABG_A_7_Into_2Q0B_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-0.27 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-0.92 [pKa]
Docking affinity (XScore Software):-7 [pKa]
Docking affinity (DSX-Score Software):-4.63 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.2 [pKa]

Useful files:

Alignment file with ligand : complex.pir