Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTKLLVGLGNPGDKYFETKHNVGFMLIDQLAKKQNVTFTHDKIFQADLASFFLNGEKIYLVKPTTFMNESGKAVHALLTYYGLDIDDLLIIYDDLDMEVGKIRLRAKGSAGGHNGIKSIIQHIGTQVFNRVKIGIGRPKNGMSVVHHVLSKFDRDDYIGILQSIDKVDDSVNYYLQEKKFEKTMQRYNG
4JX9 Chain:A (5-189)--SLIVGLGNPGSEYAQTRHNAGFWFVEQLADKYGITLKNDPKFHGISGRGNIEGHDVRLLLPMTYMNRSGQSVVPFSKFYQIAPEAILIAHDELDMNPGVIRLKTGGGHGGHNGLRDIVPHIGPN-FHRLRIGIGHPGSKERVSGHVLGKAPSNEQSLMDGAIDHALSKVKLLVQ-GQVPQAMNQINA
Receptor file (based on 4JX9) :4JX9_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4JX9
Information :PDB HYDROLASE 28-MAR-13 XXXX

Ligand:

Ligand pdb file :4JX9_URI_A_2.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :URI_A_2
Ligand Type:non-polymer
Ligand Weight:244.204
Ligand Info:URIDINE
Cofactor(s):
4JX9/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4JX9_URI_A_2_Into_4JX9_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):2.50 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):2.88 [pKd]
Docking affinity (XScore Software):6.07 [pKd]
Docking affinity (DSX-Score Software):5.08 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):4.1 [pKd]

Useful files:

Alignment file with ligand : complex.pir