Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEP-KYWGGVCLNVGCIPSKALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVAGVHFLMKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLVPGTSLS-ANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTIVEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTVTKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTNVGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRATFCQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVADAKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEALQECFHGLVGHMINF
2EQ7 Chain:B (2-444)---YDLLVIGAGPGGYVAAIRAAQLGMKVGVVEKEKALGGTCLRVGCIPSKALLETTERIYEAKKGLLGAKVKG-VELDLPALMAHKDKVVQANTQGVEFLFKKNGIARHQGTARFLSERKVLVEETG---EELEARYILIATGSAPLIPPWAQVDYERVVTSTEALSFPEVPKRLIVVGGGVIGLELGVVWHRLGAEVIVLEYMDRILPTMDLEVSRAAERVFKKQGLTIRTGVRVTAVVPEAKGARVELEGGEV---LEADRVLVAVGRRPYTEGLSLENAGLSTDERGRIPVDEHLRTRVPHIYAIGDVVRGPMLAHKASEEGIAAVEHMV--RGFGHVDYQAIPSVVYTHPEIAAVGYTEEELKAQGIPYKVGKFPYSASGRARAMGETEGFIKVLAHAKTDRILGVHGIGARVGDVLAEAALALFFKASAEDLGRAPHAHPSLSEILKEA-----------
Receptor file (based on 2EQ7) :2EQ7_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2EQ7
Information :PDB OXIDOREDUCTASE 30-MAR-07 XXXX

Ligand:

Ligand pdb file :2EQ7_FAD_B_6.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :FAD_B_6
Ligand Type:non-polymer
Ligand Weight:785.557
Ligand Info:FLAVIN-ADENINE DINUCLEOTIDE
Cofactor(s):
2EQ7/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2EQ7_FAD_B_6_Into_2EQ7_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-0.21 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-11.98 [pKa]
Docking affinity (XScore Software):-12.63 [pKa]
Docking affinity (DSX-Score Software):-9.43 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-8.6 [pKa]

Useful files:

Alignment file with ligand : complex.pir