Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSVELAPALEEVLRPVLGD--VTVENLQ--RLTGGASRTTWAFSAHARSRSGTAHARSESDTAHARSESDTAQTGGAGRPLILRTGARDD-----IHASMELEAKVQQRAAA-AGAPVPHIVNADNSPAAVGAPYLICDAIAGETIVRRIF--------RGLDDGGRARLLEQCATALAAIHRADPAGIGLT--SP-DDLAG----WRSRLDEI---GDTTATFEWTFRRLADARPE---PSPMRLVHGDFRMGNLIVDESGLAAVLDWELTHIGEIYEDLAWFCIRAWRFGAPE-TLGAGGL---GSVETFLQAYESAADTSLDRNTFRWWLTVATLRWGVICRHQAERHLSGESPSVELAAIGRRVSETEWDLLELLSGGGPR
3ATT Chain:A (3-327)-----PAVISRWLSSVLPGGAAPEVTVESGVDSTGMSSETIILTARWQ--Q---------------------DGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLT-DTTLHRHFNWVRSWYDFAVEGIGRSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGV--ELGDLHWFYVYSGVMWACVFMRTGARR----------------------------------
Receptor file (based on 3ATT) :3ATT_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :3ATT
Information :PDB TRANSFERASE 13-JAN-11 XXXX

Ligand:

Ligand pdb file :3ATT_ATP_A_8.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ATP_A_8
Ligand Type:non-polymer
Ligand Weight:507.183
Ligand Info:ADENOSINE-5'-TRIPHOSPHATE
Cofactor(s):
3ATT/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 3ATT_ATP_A_8_Into_3ATT_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):1.37 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):2.83 [pKd]
Docking affinity (XScore Software):8.57 [pKd]
Docking affinity (DSX-Score Software):5.13 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):4.5 [pKd]

Useful files:

Alignment file with ligand : complex.pir