Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSTPTPPALDRDDPLGLDASLSSDEIAVRDTVRRFCAEHVTPHVAAWFEDGDLPVARDLAKQFGELGLLGMQL-HGHGCGGASAVHYGLACRELEAADSGIRSLVSVQGSLAMFAIASFGSDEQKRQWLPGMATGDLLGCFGLTEPDVGSDPAAMKTRARRDGPDWVITGGKMWITNGSVADVAIVWAATDD-----GIRGFIVPTDTPGFTANTIGHKLSLRASITSELVLDNVRLPADAML-PGATGLRAPLACLSEARYGIVWGAMGAARSAWQCALDYARQRTQFGRPIAGFQLTQAKLVDMAVELHKGQLLSLHLGRLKDRVGLRPDQVSFGKLNNTREALKICRTARTILGGNGISLEYPVIRHMVNLESVLTYEGTPEMHQLVLGQAFTGLAAFR
4L1F Chain:B (1-376)----------------MDFNLTEDQQMIKDMAAEFAEKFLAPTVEE--RDKAHIWDRKLIDKMGEAGFCGICFPEEYGGMGLDVLSYILAVEELSKVDDGTGITLSANVSLCATPIYMFGTEEQKQKYLAPIAEGTHVGAFGLTEPSAGTDASAQQTTAVLKGDKYILNGSKIFITNGKEADTYVVFAMTDKSQGVHGISAFILEKGMPGFRFGKIEDKMGGHTSITAELIFEDCEVPKENLLGKEGEGFKIAMETLDGGRIGVAAQALGIAEGALAAAVKYSKEREQFGRSISKFQALQFMMADMATKIEAARYLVYHAAMLKNEGKPYSEAAAMAKCFASDVAMEVTTDAVQIFGGYGYTVDYPAERYMRNAKITQIYEGTNQVMRIVTSRA--------
Receptor file (based on 4L1F) :4L1F_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4L1F
Information :PDB ELECTRON TRANSPORT 03-JUN-13 XXXX

Ligand:

Ligand pdb file :4L1F_FAD_B_8.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :FAD_B_8
Ligand Type:non-polymer
Ligand Weight:785.557
Ligand Info:FLAVIN-ADENINE DINUCLEOTIDE
Cofactor(s):
4L1F/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4L1F_FAD_B_8_Into_4L1F_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-2.69 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-5.74 [pKa]
Docking affinity (XScore Software):-12.59 [pKa]
Docking affinity (DSX-Score Software):-7.33 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-7.1 [pKa]

Useful files:

Alignment file with ligand : complex.pir