Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMMKRRWSNNGGFAALKMLEESSSEVTSSSNGLVLSSDINMSPSSLDSPVYGDQEMWLCNDSASYNNSHQHSVITSLQGCTSSLPAQTTIIPLSALPNSNNASLNNQNQNYQNGNSMNTNLSVNTNNSVGGGGGGGGVPGMTSLNGLGGGGGSQVNNHNHSHNHLHHNSNSNHSNSSSHHTNGHMGIGGGGGGLSVNINGPNIVSNAQQLNSLQASQNGQVIHANIGIHSIISNGLNHHHHHHMNNSSMMHHTPRSESANSISSGRDDLSPSSSLNGFSTSDASDVKKIKKGPAPRLQEELCLVCGDRASGYHYNALTCEGCKGFFRRSVTKNAVYCCKFGHACEMDMYMRRKCQECRLKKCLAVGMRPECVVPENQCAMKRREKKAQKEKDKIQTSVCATEIKKEILDLMTCEPPSHPTCPLLPEDILAKCQARNIPPLSYNQLAVIYKLIWYQDGYEQPSEEDLKRIMSSPDENESQHDAS--FRHITEITILTVQLIVEFAKGLPAFTKIPQEDQITLLKACSSEVMMLRMARRYDHNSDSIFFANNRSYTRDSYKMAGMADNIEDLLHFCRQMYSMKVDNVEYALLTAIVIFSDRPGLEEAELVEAIQSYYIDTLRIYILNRHCGDPMSLVFFAKLLSILTELRTLGNQNAEMCFSLKLKNRKLPKFLEEIWDVHAIPPSVQSHIQATQAEKAAQEAQATTSAISAAATSSSSINTSMATSSSSSLSPSAASTPNGGAVDYVGTDMSMSLVQSDNA
1R20 Chain:D (20-261)---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VPPLTANQKSLIARLVYYQEGYEQPSEEDLKR--------------DMPFRQITEMTILTVQLIVEFAKGLPGFSKISQSDQITLLKACSSEVMMLRVARRYDAATDSVLFANNQAYTRDNYRKAGMAYVIEDLLHFCRCMYSMMMDNVHYALLTAIVIFSDRPGLEQPSLVEEIQRYYLNTLRVYILNQNSASPRSAVIFGKILGILTEIRTLGMQNSNMCISLKLKNRKLPPFLEEIWDV----------------------------------------------------------------------------------
Receptor file (based on 1R20) :1R20_CHAIN_D.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1R20
Information :PDB HORMONE/GROWTH FACTOR RECEPTOR 25-SEP-03 XXXX

Ligand:

Ligand pdb file :1R20_HWG_C_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :HWG_C_3
Ligand Type:non-polymer
Ligand Weight:396.485
Ligand Info:N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE
Cofactor(s):
1R20/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1R20_HWG_C_3_Into_1R20_CHAIN_D.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-6.49 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-6.58 [pKa]
Docking affinity (XScore Software):-9.71 [pKa]
Docking affinity (DSX-Score Software):-6.79 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-7.4 [pKa]

Useful files:

Alignment file with ligand : complex.pir