Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMEAIAKYDFKATADDELSFKRGDILKVLNEECDQNWYKAELNGKDGFIPKNYIEMKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQVPQQPTYVQALFDFDPQEDGELGFRRGDFIHVMDNSDPNWWKGACHGQTGMFPRNYVTPVNRNV
1QG1 Chain:E (3-104)---------------------------------------------------------HPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQVPQQPT----------------------------------------------------------
Receptor file (based on 1QG1) :1QG1_CHAIN_E.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1QG1
Information :PDB HORMONE/GROWTH FACTOR 19-APR-99 XXXX

Ligand:

Ligand pdb file :1QG1_CHAIN_I_2.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :CHAIN_I_2
Ligand Type:polymer
Ligand Weight:1587.573
Ligand Info:PROTEIN (SHC-DERIVED PEPTIDE)
Cofactor(s):
1QG1/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1QG1_CHAIN_I_2_Into_1QG1_CHAIN_E.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):4.81 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):0 [pKa]
Docking affinity (XScore Software):1.82 [pKa]
Docking affinity (DSX-Score Software):-5.57 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-5.6 [pKa]

Useful files:

Alignment file with ligand : complex.pir