Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMLTKTVKSFGLAMGLLACSLPLYAKNNVVVVATGGTIAGAGASSANSATYTAAKVPVDALINAVPQIQDLANVSGIQALQVASESITDKELLQIARQVNELVKKPTVNGVVITHGTDTLEETAFFLNLVVHTDKPIVLVGSMRPSTALSADGPLNLYSAVALAASDDAKNKGVMVLMNDSIFAARDVTKGINIHTNAF-VSQWGALGTLVEGKPYWFRQSVKRHTNASEFNIENIKGDALPTVQIVYGSDSMLPDAYEAYAKAGAKAIIHAGTGNGSVAKYIVPTLQNLHDQNGIQIIRSSRVPQGFVLRDAEQPDSKYGWVAAHDLNPQKARLLAALALTKTNDAKEIQRMFWQY
1HG1 Chain:B (6-327)--------------------------NIVILATGGTIAG-----------------VDTLINAVPEVKKLANVKGEQFSNMASENMTGDVVLKLSQRVNELLARDDVDGVVITHGTDTVEESAYFLHLTVKSDKPVVFVAAMRPATAISADGPMNLLEAVRVAGDKQSRGRGVMVVINDRIGSARYITKTNASTLDTFRANEEGYLGVIIGNRIYYQNRIDKLHTTRSVFDVRGLT--SLPKVDILYGYQDDPEYLYDAAIQHGVKGIVYAGMGAGSVSVRGIAGMRKALEK-GVVVMRSTRTGNGIVPPDEELP-----GLVSDSLNPAHARILLMLALTRTSDPKVIQEYFHTY
Receptor file (based on 1HG1) :1HG1_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1HG1
Information :PDB ASPARAGINASE 08-DEC-00 XXXX

Ligand:

Ligand pdb file :1HG1_DAS_B_6.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :DAS_B_6
Ligand Type:non-polymer
Ligand Weight:133.104
Ligand Info:D-ASPARTIC ACID
Cofactor(s):
1HG1/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1HG1_DAS_B_6_Into_1HG1_CHAIN_B.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):5.06 [pKd]
Docking affinity (DSX-Score Software):4.50 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):4.8 [pKd]

Useful files:

Alignment file with ligand : complex.pir