Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMKKVCFVCLGNICRSPMAEFVM------ANLDKEDSLSVESRATSTWEHG-NPIHRGTQAILQRYQIPYINDKGSQPISKDDLAYFDYIIGMDEQNVKDLKALSQGTYDDKISLFCDGG---------VPDPWY--TGDFEETYRLVNDGCKQWLTLINNSRD
1D2A Chain:B (9-156)---VAFIALGNFCRSPMAEAIFKHEVEKANLENRFN-KIDSFGTSNYHVGESPDHR-TVSICKQHGVK-INHKGKQ-IKTKHFDEYDYIIGMDESNINNLKKIQPEGSKAKVCLFGDWNTNDGTVQTIIEDPWYGDIQDFEYNFKQITYFSKQFLKKEL----
Receptor file (based on 1D2A) :1D2A_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1D2A
Information :PDB HYDROLASE 22-SEP-99 XXXX

Ligand:

Ligand pdb file :1D2A_ADE_B_6.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ADE_B_6
Ligand Type:non-polymer
Ligand Weight:135.128
Ligand Info:ADENINE
Cofactor(s):
1D2A/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1D2A_ADE_B_6_Into_1D2A_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):0 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-0.13 [pKa]
Docking affinity (XScore Software):-6.27 [pKa]
Docking affinity (DSX-Score Software):-4.20 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.5 [pKa]

Useful files:

Alignment file with ligand : complex.pir