Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMYRLNIVSTNPSGSVQQQQQAQGQQVISSVVRPQQQQPPPQLALVQTGGSGGTTTTIIGLTSLNALNATTITGLVAGAAGSSTSAIAAAGASNSGSGPSTATTKHILKAATTNNNISIVKIVDDIMLKAVKVEPLPMDTGGGGGGVSMIPSSATTSGGVTVTAIPASVAPMPPVAAGTNVSSNGSVTVYASGKRRLESNEEWISSPSPGSVPGSAPPLSPSPGSQSTTYTTTMSNGYSSPMSTGSYDPYSPNGKMGREDLSPSSSLNGYTDGSDAKKQKKGPTPRQQEELCLVCGDRESGYHYNALTCEGCKGFFRRSVTKNAVYCCKFGHACEMDMYMRRKCQECRLKKCLAVGMRPECVVPENQCAIKRKEKKAQKEKDKVQTNATVSTTNSTYRSEILPILMKCDPPPHQAIPLLPEKLLQENRLRNIPLLTANQMAVIYKLIWYQDGYEQPSEEDLKRI-MIGSPNEEEDQHDVHFRHITEITILTVQLIVEFAKGLPAFTKIPQEDQITLLKACSSEVMMLRMARRYDAATDSILFANNRSYTRDSYRMAGMADTIEDLLHFCRQMFSLTVDNVEYALLTAIVIFSDRPGLEQAELVEHIQSYYIDTLRIYILNRHAGDPKCSVIFAKLLSILTELRTLGNQNSEMCFSLKLKNRKLPRFLEEIWDVQDIPPSMQAQMHSHGTQSSSSSSSSSSSSSNGSSNGNSSSNSNSSQHGPHPHPHGQQLTPNQQQHQQQHSQLQQVHANGSGSGGGSNNNSSSGGVVPGLGMLDQV
1R1K Chain:D (21-263)----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VPPLTANQKSLIARLVWYQEGYEQPSEEDLKRVTQTW-------DSDMPFRQITEMTILTVQLIVEFAKGLPGFAKISQSDQITLLKACSSEVMMLRVARRYDAATDSVLFANNQAYTRDNYRKAGMAYVIEDLLHFCRCMYSMMMDNVHYALLTAIVIFSDRPGLEQPLLVEEIQRYYLNTLRVYILNQNSASPRCAVIFGKILGILTEIRTLGMQNSNMCISLKLKNRKLPPFLEEIWDVA--------------------------------------------------------------------------------------------------------
Receptor file (based on 1R1K) :1R1K_CHAIN_D.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1R1K
Information :PDB HORMONE/GROWTH FACTOR RECEPTOR 24-SEP-03 XXXX

Ligand:

Ligand pdb file :1R1K_P1A_C_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :P1A_C_3
Ligand Type:non-polymer
Ligand Weight:464.641
Ligand Info:2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE
Cofactor(s):
1R1K/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1R1K_P1A_C_3_Into_1R1K_CHAIN_D.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-8.14 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-11.30 [pKa]
Docking affinity (XScore Software):-9.61 [pKa]
Docking affinity (DSX-Score Software):-8.55 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-9.4 [pKa]

Useful files:

Alignment file with ligand : complex.pir