Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMALTAGIVGLPNVGKSTLFNAITKAGAEAANYPFATIDPNVGMVEVPDERLQKLTEMITPKKTVPTTFEFTDIAGIVKGASKGEGLGNKFLANIREVDAIVHVVRAFDDENVMREQGREDAFVDPLADIDTINLELILADLESVNKRYARVEKMARTQKDKESVAEFNVLQKIKPVLEDGKSARTIEFTDEEQKVVKGLFLLTTKPVLYVANVDEDVVSEPDSIDYVKQIREFAATENAEVVV-ISARAEEEISELDDEDKKEFLEAIGLTESGVDKLTRAAYHLLGLGTYFTAGEKEVRAWTFKRGMKAPQAAGIIHSDFEKGFIRAVTMSYEDLVKYGSEKAVKEAGRLREEGKEYIVQDGDIMEFRFNV
5EE3 Chain:B (26-388)--LKIGIVGLPNVGKSTFFNIVTKLSIPAENFPFCTIDPNEARVYVPDERFDWLCQLYKPKSEVSAYLEINDIAGLVR----GEGLGNAFLSHIRAVDGIFHVLRAFEDK----------DSVDPVRDLETIGEELRLKDIEFVQNKIDDLEKSMKRSNDKQLKLEHELCEKVKAHLEDGKDVRFGDWKSADIEILNTFQLLTAKPVVYLVNMSEKDYQRKKN-KFLPKIHAWVQEHGGETIIPFSCAFERLLADMPPDEAAKYC-AENQIASVIPKIIKTGFAAIHLIYFFTAGPDEVKCWQIRRQTKAPQAAGTIHTDFERGFICAEVMKFDDLKELGSESAVKAAGKYRQEGKTYVVQDGDIIFFKFN-
Receptor file (based on 5EE3) :5EE3_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :5EE3
Information :PDB HYDROLASE 22-OCT-15 XXXX

Ligand:

Ligand pdb file :5EE3_ANP_B_9.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ANP_B_9
Ligand Type:non-polymer
Ligand Weight:506.196
Ligand Info:PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Cofactor(s):
5EE3/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 5EE3_ANP_B_9_Into_5EE3_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):3.85 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):6.57 [pKd]
Docking affinity (XScore Software):9.84 [pKd]
Docking affinity (DSX-Score Software):6.80 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):6.8 [pKd]

Useful files:

Alignment file with ligand : complex.pir