Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMGACVCVHVFRLLLCSRFFLFAVPSSSPAPPSRVSCPSSQKAFLRARVCVPRRASRCGSGSSRHRAPVARIRTFTRIAHSPKALSKYCPFTPLSTSSCFSRFAFFRPPFPLPTLQVMSEKSVRSRRPLSVSRASARASAASRPQLHRTVSSDGASPSQATAPMYRPLRYVGRGSFGVVLLAEEVHTGVKVAIKRVHYDARLHNREVAILNSVLVDNPRHQQPSHTVVDSNDASRLPGGAARASSTSFLSASSSSHTVEDVHLWPGTHHPNIVELLDFYVTYDTASSEQALGPDMVGVGGASAGFESLPSHHPAAHRYPLSGGSGAASTNAPPVSAPLAAFAYLEMVMSYLPMDLCYVKKYYFRFHDMPTMVTSSSPSPLASPEQAAAELLSGELPEGTADRPPASPKHAGTGCNGSNSSRHSSTGGSGGDAFNHLPLRWVKVVLFQLARALAFMHVRHVCHRDLKPANVLVDPDTGRVQVCDFGSAKQIARPAEEKNVSYICSRYYRAPELLFGALHYGCAVDMWSFGCIAAELLRESGKPLFRGCTSIDQMAELFKVLGAPSKREMYAMNPQCAEALLRTRAMHRHQSLDTDPHSGSGGGVRQDRSCGLELEVDYQAEEEDDVELRGGAQQGGYDVDGHGDFLRDALDDGISSQASASPGMATASPPSSCTKDPRDYKTAFSAPPSTAATATLDDVAPTPFEEYYDVLKVHAIPWRRLFPADTPTEAVALVASLLCYAPDKRLTAAELVEHPFFDDLFSAADAQLGAVGRDTATAMASGTTNSPSEDDGVASAALRLPNGRLMPLSMFQVTEVERGLYTDAFLTRMARQAELVAAAMKQDEYP
4NM0 Chain:A (153-290)--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVR--GEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLL--GQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTE----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Receptor file (based on 4NM0) :4NM0_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4NM0
Information :PDB TRANSFERASE/PEPTIDE 14-NOV-13 XXXX

Ligand:

Ligand pdb file :4NM0_ADP_A_10.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ADP_A_10
Ligand Type:non-polymer
Ligand Weight:427.203
Ligand Info:ADENOSINE-5'-DIPHOSPHATE
Cofactor(s):
4NM0/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4NM0_ADP_A_10_Into_4NM0_CHAIN_A.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):0 [pKd]
Docking affinity (XScore Software):6.43 [pKd]
Docking affinity (DSX-Score Software):3.86 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):5.1 [pKd]

Useful files:

Alignment file with ligand : complex.pir