Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMEAIAKYDFKATADDELSFKRGDILKVLNEECDQNWYKAELNGKDGFIPKNYIEMKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQVPQQPTYVQALFDFDPQEDGELGFRRGDFIHVMDNSDPNWWKGACHGQTGMFPRNYVTPVNRNV
1FYR Chain:B (8-105)------------------------------------------------------MKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIE-----------------------------------------------------------------
Receptor file (based on 1FYR) :1FYR_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1FYR
Information :PDB HORMONE/GROWTH FACTOR 03-OCT-00 XXXX

Ligand:

Ligand pdb file :1FYR_ACE_J_10.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ACE_J_10
Ligand Type:non-polymer
Ligand Weight:44.053
Ligand Info:ACETYL GROUP
Cofactor(s):
1FYR/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1FYR_ACE_J_10_Into_1FYR_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):0.17 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):0 [pKa]
Docking affinity (XScore Software):-3.38 [pKa]
Docking affinity (DSX-Score Software):-3.39 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.4 [pKa]

Useful files:

Alignment file with ligand : complex.pir