Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSKSIEKFPKELVSPIAQLHSLVEKNSKLHIKELFAAEQDRFQNYSVKFD----QLVFDYSKHRITKSVLEQLFALAKTKQLTHWIERLFSQDKVNCTEQRAAMHWALRLPSEYS---KFPELTKQVHTQLQRMYVLVEKIHAGQYRGATGEVIQDVVNIGVGGSDLGPQMVTHALCDFKVKTAKPLNVHFVSTMDGSQLSDLLHQLRPETTLFIISSKSFGTIDTLSNAQTVRQWLEKALGKHDRVVKSHFIGVSTKAEKMTEWGIAPENQLLLWDWVGGRYSLWSCIGFPIALTIGIDGFQQLLAGAHAVDEHFQNTNFEQNIPVLMALLGIWNNNFLNIQTHAVLPYDGRLKYFAAYLQQLEMESNGKSVQRDGQKVELDTCPIVWGEVGPNAQHAFYQLLHQGTQAVSCDFIAPIQRYNADHFTYVENAEALIEQHHLALSNCLAQSRLLAFG------NEALDSA-----ELKNLPIYKQYEGNQPSSTLLLKELNPYSLGMLIALYEHKVFVQSVIWNINPFDQWGVEKGKQIADQLLPILNGAQNDLSALDASTRGLIKILLGKVDG
1U0G Chain:A (21-549)-------------------------SANLKLRELFEADPERFNNFSLNLNTNHGHILVDYSKNLVNKEVMQMLVELAKSRGVEAARDNMFSGSKINYTEDRAVLHVALRNRSNTPIKVDGKDVMPEVNRVLDKMKSFCQRVRSGDWKGYTGKSITDIINIGIGGSDLGPLMVTEALKPYSKGGPR---VWFVSNIDGTHIAKTLASLSPETSLFIIASKTFTTQETITNAETAKEWFLEA-AKDPSAVAKHFVALSTNTAKVKEFGIDPQNMLEFWDWVGGRYSLWSAIGLSIALHVGFDHFEQLLSGAHWMDQHFLKTPLEKNAPVLLALLGIWYINCYGCETHALLPYDQYMHRFAAYFQQGDMESNGKYITKSGARVDHQTGPIVWGEPGTNGQHAFYQLIHQGTKMIPCDFLIPVQ-------TQHPIRKGL--HHKILLANFLAQTEALMKGKLPEEARKELQAAGKSPEDLEKLLPHKVFEGNRPTNSIVFTKLTPFILGALIAMYEHKIFVQGIMWDINSFDQWGVELGKQLAKKIEPELEGS-SAVTSHDSSTNGLISFI------
Receptor file (based on 1U0G) :1U0G_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1U0G
Information :PDB ISOMERASE 13-JUL-04 XXXX

Ligand:

Ligand pdb file :1U0G_E4P_A_10.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :E4P_A_10
Ligand Type:non-polymer
Ligand Weight:200.085
Ligand Info:ERYTHOSE-4-PHOSPHATE
Cofactor(s):
1U0G/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1U0G_E4P_A_10_Into_1U0G_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):3.23 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):3.99 [pKd]
Docking affinity (XScore Software):5.85 [pKd]
Docking affinity (DSX-Score Software):4.94 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):4.5 [pKd]

Useful files:

Alignment file with ligand : complex.pir