Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSNATKFGKVAVLLGGKSAERAVSLDSGQAVLDALLRSGVQAEAFDPQDRSVTELVN--YDRAFIVLHGRGGEDGQIQGVLEWLNIPYTGTGVQGSAIGMDKVKTKQIWQGSDLPTAPYRIITKET-------DLDSVIAELGLPVIIKPVHEGSSVGMSKVEKAEDFAAAIEKATQHDAVVMAEKWITGREFTISFLNGQPLPVIRLQPPADVAFYDYEAKYQRNDVEYGIPCGLSETEEKKLQALCLRAFQAVGAEGWGRIDAMQDEQGNFWLLEVNTVPGMTSHSLVPKATKAVGYSFDELCVAILEQTLEGTA
5C1O Chain:B (4-302)--------KVAVLLGGTSAEREVSLLSGQAVLAGLKEAGIDAYGVDTKDFPVTQLKEQGFDKVFIALHGRGGEDGTLQGVLEFLQLPYTGSGVMASALTMDKLRTKLVWQALGLPISPYVALNRQQFETLSPEELVACVAKLGLPLIVKPSHE--SVGMSKVDHASELQKALVEAFQHDSDVLIEKWLSGPEFTVAILGDEVLPSIRIQPP----------------TQYFCPSGLSDESEQQLAALALQAYHALDCSGWGRVDVMQDRDGHFYLLEVNTSPGMTSHSLVPMAARQYGLSFSQLVARIL--------
Receptor file (based on 5C1O) :5C1O_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :5C1O
Information :PDB LIGASE 15-JUN-15 XXXX

Ligand:

Ligand pdb file :5C1O_ANP_B_8.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ANP_B_8
Ligand Type:non-polymer
Ligand Weight:506.196
Ligand Info:PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Cofactor(s):
5C1O/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 5C1O_ANP_B_8_Into_5C1O_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):1.16 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):4.41 [pKd]
Docking affinity (XScore Software):9.52 [pKd]
Docking affinity (DSX-Score Software):5.40 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):5.1 [pKd]

Useful files:

Alignment file with ligand : complex.pir