Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMDTQHSALNARKQQATPRGVGVMCQWYAEKAENATIWDKEGNQFIDFAGGIAVLNTGHRHPKVIAAVTEQLTKFTHTAYQVTPYESYVALAERINERAPIAGPAKAAFFTTGAEAVENAVKIARCYT------GRHGIITFGNGFHGRSFMTMAMTGKTAPYKRDFGVMPAGVFHARYPVPAKGISVDAAIESVEDIFSEDIAPHDVAVIVLEPVQGEGGFNVVPAEFLKRLRAICDKHGILLVADEVQSGFARTGKLFAMNHYETKADLITMAKSLGGGFPISGVVGRAEVMDAPNPGGLGGTYAGSPIAVAAAHAVIDAIEEENLCDRANELGAELVATLKDIQQATGDVVTDIRALGSMVAVELETAE--QAKVVQNYAMENGLLLLTCGKYGNVIRFLYPLTIPAEQFRQGLDILKQGFATLKAGSAKAMEQSA
4JEV Chain:B (38-420)----------------------PADFIPVKGKGSRVWDQQGKEYIDFAGGIAVTALGHCHPALVEALKSQGETLWHTS-NVFTNEPALRLGRKLIDATF---AERVLFMNSGTEANETAFKLARHYACVRHSPFKTKIIAFHNAFHGRSLFTVSVGGQP-KYSDGFGPKPADIIHVPFND----------LHAVKAVMD-----DHTCAVVVEPIQGEGGVQAATPEFLKGLRDLCDEHQALLVFDEVQCGMGRTGDLFAYMHYGVTPDILTSAKALGGGFPVSAMLTTQEIASAFHVGSHGSTYGGNPLACAVAGATFDIINTPEVLQGIHTKRQQFVQHLQAIDEQ-FDIFSDIRGMGLLIGAELKPKYKGRARDFLYAGAEAGVMVLNAG--ADVMRFAPSLVVEEADIHEGMQRFAQAVGKVVA----------
Receptor file (based on 4JEV) :4JEV_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4JEV
Information :PDB TRANSFERASE 27-FEB-13 XXXX

Ligand:

Ligand pdb file :4JEV_PXG_B_6.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :PXG_B_6
Ligand Type:non-polymer
Ligand Weight:368.282
Ligand Info:3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID
Cofactor(s):
4JEV/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4JEV_PXG_B_6_Into_4JEV_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):4.38 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):7.80 [pKd]
Docking affinity (XScore Software):5.5 [pKd]
Docking affinity (DSX-Score Software):6.07 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):5.9 [pKd]

Useful files:

Alignment file with ligand : complex.pir