Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTENEQLFWNRVLELSRSQIAPAAYEFFVLEARLLKIEHQTAVITLDNIEMKKLFWEQNLGPVILTAGFEIFNAEITANYVSNDLHLQETSFSNYQQSSNEVNTLPIRKIDSNLKEKYTFANFVQGDENRWAVSASIAVADSPGTTYNPLFIWGGPGLGKTHLLNAIGNQVLRDNPNARVLYITAENFINEFVSHIRLDSMEELKEKFRN-LDLLLIDDIQSLAKKTLGGTQEEFFNTFNALHTNDKQIVLTSDRNPNQLNDLEERLVTRFSWGLPVNITPPDFETRVAILTNKIQEYPYDFPQDTIEYLAGEFDSNVRELEGALKNISLVADFKHAKTITVDIAAEAIRARKN---DGPIVTVIPIEEIQIQVGKFYGVTVKEIKATKRTQDIVLARQVAMYLAREMTDNSLPKIGKEFGGRDHSTVLHAYNKIKNMVAQDDNLRIEIETIKNKIR
2Z4S Chain:A (96-335)---------------------------------------------------------------------------------------------------------------TPLNPDYTFENFVVGPGNSFAYHAALEVAKHPGR-YNPLFIYGGVGLGKTHLLQSIGNYVVQNEPDLRVMYITSEKFLNDLVDSMKEGKLNEFREKYRKKVDILLIDDVQFLIGKT--GVQTELFHTFNELHDSGKQIVICSDREPQKLSEFQDRLVSRFQMGLVAKLEPPDEETRKSIARKMLEIEHGELPEEVLNFVAENVDDNLRRLRGAI--IKLLV-YKETTGKEVDL-KEAILLLKDFIKP---------------------------------------------------------------------------------------------------
Receptor file (based on 2Z4S) :2Z4S_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2Z4S
Information :PDB DNA BINDING PROTEIN 25-JUN-07 XXXX

Ligand:

Ligand pdb file :2Z4S_ADP_A_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ADP_A_3
Ligand Type:non-polymer
Ligand Weight:427.203
Ligand Info:ADENOSINE-5'-DIPHOSPHATE
Cofactor(s):
2Z4S/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2Z4S_ADP_A_3_Into_2Z4S_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-2.45 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-8.69 [pKa]
Docking affinity (XScore Software):-9.37 [pKa]
Docking affinity (DSX-Score Software):-6.71 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-6.8 [pKa]

Useful files:

Alignment file with ligand : complex.pir