Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ
3OKH Chain:A (5-232)-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEAFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEARIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDR-YIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDV-
Receptor file (based on 3OKH) :3OKH_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :3OKH
Information :PDB HORMONE RECEPTOR 25-AUG-10 XXXX

Ligand:

Ligand pdb file :3OKH_OKH_A_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :OKH_A_3
Ligand Type:non-polymer
Ligand Weight:494.032
Ligand Info:2-(4-CHLOROPHENYL)-1-[(1S)-1-CYCLOHEXYL-2-(CYCLOHEXYLAMINO)-2-OXOETHYL]-1H-BENZIMIDAZOLE-6-CARBOXYLIC ACID
Cofactor(s):
3OKH/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 3OKH_OKH_A_3_Into_3OKH_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-4.52 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-7.57 [pKa]
Docking affinity (XScore Software):-10.48 [pKa]
Docking affinity (DSX-Score Software):-6.29 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-7.2 [pKa]

Useful files:

Alignment file with ligand : complex.pir