Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMDTKHFLPLDFSTQVNSSSLNSPTGRGSMAVPSLHPSLGPGIGSPLGSPGQLHSPISTLSSPINGMGPPFSVISSPMGPHSMSVPTTPTLGFGTGSPQLNSPMNPVSSTEDIKPPLGLNGVLKVPAHPSGNMASFTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDNKDCLIDKRQRNRCQYCRYQKCLAMGMKREAVQEERQRGKDRNENEVESTSSANEDMPVEKILEAELAVEPKTETYVEANMGLNPSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQAT
1XVP Chain:A (1-232)---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NEDMPVERILEAELAVEPKTETYVEANMGLNPSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAP----
Receptor file (based on 1XVP) :1XVP_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1XVP
Information :PDB DNA BINDING PROTEIN 28-OCT-04 XXXX

Ligand:

Ligand pdb file :1XVP_F15_A_10.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :F15_A_10
Ligand Type:non-polymer
Ligand Weight:242.401
Ligand Info:PENTADECANOIC ACID
Cofactor(s):
1XVP/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1XVP_F15_A_10_Into_1XVP_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-5.36 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-3.09 [pKa]
Docking affinity (XScore Software):-6.57 [pKa]
Docking affinity (DSX-Score Software):-6.07 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-5.3 [pKa]

Useful files:

Alignment file with ligand : complex.pir