Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTKLLVGLGNPGDKYFETKHNVGFMLIDQLAKKQNVTFTHDKIFQADLASFFLNGEKIYLVKPTTFMNESGKAVHALLTYYGLDIDDLLIIYDDLDMEVGKIRLRAKGSAGGHNGIKSIIQHIGTQ-VFNRVKIGIGRPKNGMSVVHHVLSKFDRDDYIGILQSIDKVDDSVNYYLQEKKFEKTMQRYNG
4QBK Chain:A (5-168)--QLIVGLGNPGPEYDQTRHNAGALFVERLAHAQGVSLVADRKYFGLVGKFSHQGKDVRLLIPTTYMNRSGQSVAALAGFFRIAPDAILVAHDELDMPPGVAKLKTGGGHGGHNGLRDIIAQLGNQNSFHRLRLGIGHPGHSSLVSGYVLGRAPRSEQELLDTSID------------------------
Receptor file (based on 4QBK) :4QBK_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4QBK
Information :PDB HYDROLASE 08-MAY-14 XXXX

Ligand:

Ligand pdb file :4QBK_3NZ_A_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :3NZ_A_3
Ligand Type:non-polymer
Ligand Weight:443.461
Ligand Info:3'-DEOXY-3'-[(O-METHYL-L-TYROSYL)AMINO]ADENOSINE
Cofactor(s):
4QBK/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4QBK_3NZ_A_3_Into_4QBK_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):4.47 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):5.19 [pKd]
Docking affinity (XScore Software):9.75 [pKd]
Docking affinity (DSX-Score Software):6.32 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):6.4 [pKd]

Useful files:

Alignment file with ligand : complex.pir