Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMLTKTVKSFGLAMGLLACSLPLYAKNNVVVVATGGTIAGAGASSANSATYTAAKVPVDALINAVPQIQDLANVSGIQALQVASESITDKELLQIARQVNELVKKPTVNGVVITHGTDTLEETAFFLNLVVHTDKPIVLVGSMRPSTALSADGPLNLYSAVALAASDDAKNKGVMVLMNDSIFAARDVTKGINIHTNAF-VSQWGALGTLVEGKPYWFRQSVKRHTNASEFNIENIKGDALPTVQIVYGSDSMLPDAYEAYAKAGAKAIIHAGTGNGSVAKYIVPTLQNLHDQNGIQIIRSSRVPQGFVLRDAEQPDSKYGWVAAHDLNPQKARLLAALALTKTNDAKEIQRMFWQY
5HW0 Chain:D (7-328)--------------------------NIVILATGGTIAGSAATGTQTTGYKAGALGVDTLINAVPEVKKLANVKGEQFSNMASENMTGDVVLKLSQRVNELLARDDVDGVVITHGTDTVEESAYFLHLTVKSDKPVVFVAAMRPATAISADGPMNLLEAVRVAGDKQSRGRGVMVVLNDRIGSARYITKTNASTLDTFKANEEGYLGVIIGNRIYYQNRIDKLHTTRSVFDVRGLT--SLPKVDILYGYQDDPEYLYDAAIQHGVKGIVYAGMGAGSVSVRGIAGMRKAMEK-GVVVIRSTRTGNGIVPPDEELP-----GLVSDSLNPAHARILLMLALTRTSDPKVIQEYFHTY
Receptor file (based on 5HW0) :5HW0_CHAIN_D.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :5HW0
Information :PDB HYDROLASE 28-JAN-16 XXXX

Ligand:

Ligand pdb file :5HW0_GLU_D_8.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :GLU_D_8
Ligand Type:non-polymer
Ligand Weight:147.129
Ligand Info:GLUTAMIC ACID
Cofactor(s):
5HW0/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 5HW0_GLU_D_8_Into_5HW0_CHAIN_D.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):0 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):0 [pKd]
Docking affinity (XScore Software):4.4 [pKd]
Docking affinity (DSX-Score Software):4.68 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):4.5 [pKd]

Useful files:

Alignment file with ligand : complex.pir