Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTQQAQTIQGSIVAIVTPMLKDGGVDWKSLEKLVEWHIEQGTNSIVAVGTTGEASTLSMEEHTQVIKEIIRVAN-KRIPIIAGTGANSTREAIELTKAAKDLGADAALLVTPYYNKPTQEGLYQHYKAIAEAVELPLILYNVPGRTGVDLSNDTAVRLA-EIPNIVGIKDATGDVPRGKALIDALNGKMAVYSGDDETAWELMLLGADGNISVTANIAPKAMSEVCAVAIAKDEQQAKTLNNKIANLHNILFCESNPIPVKWALHEMGLIDT-GIRLPL-TPLAEQYREPLRNALKDAGII
5F1V Chain:B (5-282)-------IIGAMTALITP-FKNGKVDEQSYARLIKRQIENGIDAVVPVGTTGESATLTHEEHRTCIEIAVETCKGTKVKVLAGAGSNATHEAVGLAKFAKEHGADGILSVAPYYNKPTQQGLYEHYKAIAQSVDIPVLLYNVPGRTGCEISTDTIIKLFRDCENIYGV-EASGNIDKCVDLL-AHEPRMMLISGEDAINYPILSNGGKGVISVTSNLLPDMISALTHFALDENYKEAKKINDELYNINKILFCESNPIPIKTAMYLAGLIESLEFRLPLCSPSKENF--------------
Receptor file (based on 5F1V) :5F1V_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :5F1V
Information :PDB LYASE/LYASE INHIBITOR 30-NOV-15 XXXX

Ligand:

Ligand pdb file :5F1V_3VN_B_13.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :3VN_B_13
Ligand Type:non-polymer
Ligand Weight:318.412
Ligand Info:(2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid
Cofactor(s):
5F1V/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 5F1V_3VN_B_13_Into_5F1V_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):1.72 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):0 [pKd]
Docking affinity (XScore Software):4.1 [pKd]
Docking affinity (DSX-Score Software):4.86 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):3.6 [pKd]

Useful files:

Alignment file with ligand : complex.pir