Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMHLATETAPSMATYSSTYFNSSLHAHSTSVSSSNLAAMNSLDTHPGYMGNSLNGPRSMTTNMNSMCSPGNNIGLPYRVIASSMGPHSLPSPTILNYPGHESPPFNILNNVSCSEDIKPPPGLSSLGSPCMNNYSCNSPGALTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTIRKDLVYTCRDSKDCLIDKRQRNRCQYCRYQKCLAMGMKREAVQEERQRSREKSDTEAESTSSTSEEMPVERILEAELAVDPKIEAFGDAGLPNSTNDPVTNICHAADKQLFTLVEWAKRIPYFSDLPLEDQVILLRAGWNELLIASFSHRSVSVQDGILLATGLHVHRSSAHNAGVGSIFDRVLTELVSKMKDMDMDKSELGCLRAIVLFNPDAKGLSNAAEVEALREKVYATLESYTKQKYPDQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLETPHQIS
4OZT Chain:U (1-193)------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NAVANICQATNSQLYQLVEWAKHIPHFSSLPIEDQVLLLRAGWNELLIAAFSHRSVEVRDGIVLGAGITVHRNSAHQAGVGTIFDRVLTELVAKMRDMNMDRTELGSLRSIILFNPEVRGLKSGQEVELLREKVYAALEEYTRVTRPEEPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDIPIDTFLMDMLGS-----
Receptor file (based on 4OZT) :4OZT_CHAIN_U.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4OZT
Information :PDB TRANSCRIPTION 19-FEB-14 XXXX

Ligand:

Ligand pdb file :4OZT_NEQ_U_4.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :NEQ_U_4
Ligand Type:non-polymer
Ligand Weight:125.125
Ligand Info:N-ETHYLMALEIMIDE
Cofactor(s):
4OZT/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4OZT_NEQ_U_4_Into_4OZT_CHAIN_U.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-1.20 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):0 [pKa]
Docking affinity (XScore Software):-3.77 [pKa]
Docking affinity (DSX-Score Software):-4.33 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.1 [pKa]

Useful files:

Alignment file with ligand : complex.pir