Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMNNQLIYTGKAKDIYSTKDENVIRTVYKDQATMLNGARKETIDGKGALNNQISSLIFEKLNMAGVVTHYIEQISKNEQLNKKVDIIPLEVVLRNVTAGSFSKRFGVEEGRVLETPIVEFYYKNDDLNDPFINDEHMKFLGIVNDEEIAYLKGETRRINELLKDWFAQIGLNLIDFKLEFGFDKDGKIILADEFSPDNCRLWDAEGNHMDKDVFRRDLGSLTDVYQVVLEKLIAL
4FE2 Chain:A (23-254)--KQLIYSGKAKDIYTTEDENLIISTYKDQATAFNGVKKEQIAGKGVLNNQISSFIFEKLNVAGVATHFVEKLSDTEQLNKKVKIIPLEVVLRNYTAGSFSKRFGVDEGIALETPIVEFYYKNDDLDDPFINDEHVKFLQIAGDQQIAYLKEETRRINELLKVWFAEIGLKLIDFKLEFGFDKDGKIILADEFSPDNCRLWDADGNHMDKDVFRRGLGELTDVYEIVWEKLQEL
Receptor file (based on 4FE2) :4FE2_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4FE2
Information :PDB LIGASE 29-MAY-12 XXXX

Ligand:

Ligand pdb file :4FE2_AIR_A_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :AIR_A_3
Ligand Type:non-polymer
Ligand Weight:295.188
Ligand Info:5-AMINOIMIDAZOLE RIBONUCLEOTIDE
Cofactor(s):
4FE2/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4FE2_AIR_A_3_Into_4FE2_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-3.08 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-5.52 [pKa]
Docking affinity (XScore Software):-5.98 [pKa]
Docking affinity (DSX-Score Software):-6.00 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-5.1 [pKa]

Useful files:

Alignment file with ligand : complex.pir