Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMVMQFQGLENPIQISLHHSHRLSGFVPEGMSVKPAKGMLTEHAAGPLGQNLDLESYSPYNNVPFPQVQPQISSSSYYSNLGFYPQQPEDWYSPGIYELRRMPAETGYQGETEVSEMPVTKKPRMAAASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTANEDDSEGRDLRQVTSTTKFCREKTELTADQQTLLDYIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATSHVQILVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPAGHADLLEERIRKSGISDEYITPMFSFYKSVGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKMYQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ
1OT7 Chain:B (1-229)------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TELTVDQQTLLDYIMDSYSKQRMPQEITNKILKEEFSAEENFLILTEMATSHVQILVEFTKRLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPAGHADLLEERIRKSGISDEYITPMFSFYKSVGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIYQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDV-
Receptor file (based on 1OT7) :1OT7_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1OT7
Information :PDB HORMONE/GROWTH FACTOR RECEPTOR 21-MAR-03 XXXX

Ligand:

Ligand pdb file :1OT7_IU5_F_6.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :IU5_F_6
Ligand Type:non-polymer
Ligand Weight:392.578
Ligand Info:ISO-URSODEOXYCHOLIC ACID
Cofactor(s):
1OT7/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1OT7_IU5_F_6_Into_1OT7_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-6.75 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-9.66 [pKa]
Docking affinity (XScore Software):-9.61 [pKa]
Docking affinity (DSX-Score Software):-7.35 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-8.3 [pKa]

Useful files:

Alignment file with ligand : complex.pir