Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSWDFETDPEFAQQLEWIDQFVRDEIEPVDLLVTNYGFDLSDPVRQALIPPLQQMVHERNLWACHLGPNLGGKGYGQVKLALMNEILGRS--QCAPIVFGCQAPDSGNAEILAHYGSERLKETYLRPLVAGEVVSCYSMTEPEGGSDPTQFRTSAVPDGDEWVINGTKWYSSHSRFASFIIVLAVTDPD-AEPHRRMSMFVVPADAPGLETIRNVALFGHERHDGGHGYLRYNNVRVPADHLLGKRGDGFVVSQTRLGGGRIHHAMRTVGLVRKALDMMCERVLSRYTQGERLADKQMVQEMLADSWTQLEQFRLLVLQTAWKIDKYDDYRKVRKDIAAVKATMPKVLNDVAGRALQLHGSLGTSDEMPFGDWIME-SYRMGLADGATEIHKITVAKQLLRGRTPAPGLFPTGHLPALRAAAEAKFADRLAAVRGSHGSSGPSAAVAPSTAAETPVTDDAPRPDDMPEIADVRPGEELDWDRLVTYLSTALGVAAGAWSVKQFPNGSANLTYLVHVNDELSVVVRRPPLGTIAAGAHDMSREHRVLSRLPNAYPRAPRSLLVCEDPSIIGAPFDVMEYRPGVVVWRSIPEVLQVGDNVGHRIGLAVADALADLHTVDPASCDLADLGRPVGFLERQMAGWQKRWAAVASEAEAALMEEAATRLGRNVPTNPVHSLLHNDYQLTNVQFAAGDPDRVYSVFDWDMATLGDPLADLGSLLNYWPDPSDTAQSAGLYLPEQATIGLPTRAEMAERYAARSGFGLDNLGWYEAFAAYRVTVILQQLAARYQRGESTDPRMAERAQLVHPMAVRALDLLDHHGVK
2PG0 Chain:B (8-383)----RYLREEHHMFRAAFRKFLEKEAYPHYNDWEKR---------GIIPRSFWAKMGENGFLCPWVDEKYGGLNADFAYSVVINEELEKVGSSLVG-IGLHN---DIVTPYIASYGTEEQKQKWLPKCVTGELITAIAMTEPGAGSDLANISTTAVKDGDYYIVNGQKTFITNGIHADLIVVACKTDPQAKPPHRGISLLVVERDTPGFTRGRKLEKVGLH--AQDTAELFFQDAKVPAYNLLGEEGKGFYYLMEKLQQERLVVAIAAQTAAEVMFSLTKQYVKQRTAFGKRVSEFQTVQFRLAEMATEIALGRTFVDRVIEEHMAGK---QIVTEVSMAKWWITEMAKRVAAEAMQLHGGYGYMEEYEI-ARRYRDIPVSAIYAGTNEMMKTIIARQL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Receptor file (based on 2PG0) :2PG0_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2PG0
Information :PDB OXIDOREDUCTASE 06-APR-07 XXXX

Ligand:

Ligand pdb file :2PG0_FAD_B_7.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :FAD_B_7
Ligand Type:non-polymer
Ligand Weight:785.557
Ligand Info:FLAVIN-ADENINE DINUCLEOTIDE
Cofactor(s):
2PG0/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2PG0_FAD_B_7_Into_2PG0_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):5.62 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):7.47 [pKd]
Docking affinity (XScore Software):11.91 [pKd]
Docking affinity (DSX-Score Software):7.45 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):8.1 [pKd]

Useful files:

Alignment file with ligand : complex.pir