Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMKKVCFVCLGNICRSPMAEFVM------ANLDKEDSLSVESRATSTWEHG-NPIHRGTQAILQRYQIPYINDKGSQPISKDDLAYFDYIIGMDEQNVKDLKALSQGTYDDKISLFCDGG---------VPDPWY--TGDFEETYRLVNDGCKQWLTLINNSRD
1D1P Chain:B (9-156)---VAFICLGNFCRSPMAEAIFKHEVEKANLENRFN-KIDSFGTSNYHVGESPDHR-TVSICKQHGVK-INHKGKQ-IKTKHFDEYDYIIGMDESNINNLKKIQPEGSKAKVCLFGDWNTNDGTVQTIIEDPWYGDIQDFEYNFKQITYFSKQFLKKEL----
Receptor file (based on 1D1P) :1D1P_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1D1P
Information :PDB HYDROLASE 20-SEP-99 XXXX

Ligand:

Ligand pdb file :1D1P_EPE_D_4.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :EPE_D_4
Ligand Type:non-polymer
Ligand Weight:238.301
Ligand Info:4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
Cofactor(s):
1D1P/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1D1P_EPE_D_4_Into_1D1P_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-0.75 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-5.76 [pKa]
Docking affinity (XScore Software):-1.07 [pKa]
Docking affinity (DSX-Score Software):-4.95 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.1 [pKa]

Useful files:

Alignment file with ligand : complex.pir