Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMVMQFQGLENPIQISLHHSHRLSGFVPEGMSVKPAKGMLTEHAAGPLGQNLDLESYSPYNNVPFPQVQPQISSSSYYSNLGFYPQQPEDWYSPGIYELRRMPAETGYQGETEVSEMPVTKKPRMAAASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTANEDDSEGRDLRQVTSTTKFCREKTELTADQQTLLDYIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATSHVQILVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPAGHADLLEERIRKSGISDEYITPMFSFYKSVGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKMYQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ
4QE8 Chain:A (5-233)-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKL--GHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWR----KFTPLLCEIWDVQ
Receptor file (based on 4QE8) :4QE8_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4QE8
Information :PDB TRANSCRIPTION 15-MAY-14 XXXX

Ligand:

Ligand pdb file :4QE8_31D_A_5.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :31D_A_5
Ligand Type:non-polymer
Ligand Weight:416.476
Ligand Info:4-({2-[(4-TERT-BUTYLBENZOYL)AMINO]BENZOYL}AMINO)BENZOIC ACID
Cofactor(s):
4QE8/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4QE8_31D_A_5_Into_4QE8_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-3.55 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-4.07 [pKa]
Docking affinity (XScore Software):-8.7 [pKa]
Docking affinity (DSX-Score Software):-6.23 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-5.6 [pKa]

Useful files:

Alignment file with ligand : complex.pir