Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTSATIPGLDTAPTNHQGLLSWVEEVAELTQPDRVVFTDGSEEEFQRLCDQLVEAGTFIRLNPEKHKNSYLALSDPSDVARVESRTYICSAKEIDAGPT--------NNWMDPGEMRSIMKDLYRGCMRGRTMYVVPFCMGPLGAEDPKLGVEITDSEYVVVSMRTMTRMGKAALEKMGDDGFFVKALHSVGAPLEPGQKDVA--WPCS-ETKYITHFPETREIWSYGSGYGGNALLGKKCYSLRIASAMAHDEGWLAEHMLILKLISPENKAYYFAAAFPSACGKTNLAMLQPTIPGWRAETLGDDIAWMRFGKDGRLYAVNPEFGFFGVAPGTNWKSNPNAMRTIAAGNTVFTNVALTDDGDVWWEGLE---GDPQHLIDWKGNDWYFRETETNAAHPNSRYCTPMSQCPILAPEWDDPQGVPISGILFGGRRKTTVPLVTEARDWQHGVFIGATLGSEQTAAAEGKVGNVRRDPMAMLPFLGYNVGDYFQHWINLGKHADESKLPKVFFVNWFRRGDDGRFLWPGFGENSRVLKWIVDRIEHKAGGATTPIGTVPAVEDLDLDGL-DVDAADVAAALAVDADEWRQELPLIEEWLQ-FVGEKLPTGVKDEFDALKERLG
2RK8 Chain:B (22-621)--------LDSLP---QEVRKFVEGNAQLCQPEYIHICDGSEEEYGRLLAHMQEEGVIRKL--KKYDNCWLALTDPRDVARIESKTVIITQEQRDTVPIPKSGQSQLGRWMSEEDFEKAFNARFPGCMKGRTMYVIPFSMGPLGSPLAKIGIELTDSPYVVASMRIMTRMGTSVLEALGD-GEFIKCLHSVGCPL-PLKKPLVNNWACNPELTLIAHLPDRREIISFGSGYGGNSLLGKKCFALRIASRLAKEEGWLAEHMLILGITNPEGKKKYLAAAFPSACGKTNLAMMNPTLPGWKVECVGDDIAWMKFDAQGNLRAINPENGFFGVAPGTSVKTNPNAIKTIQK-NTIFTNVAETSDGGVYWEGIDEPLAPGVTITSWKNKEWRPQDEEP-CAHPNSRFCTPASQCPIIDPAWESPEGVPIEGIIFGGRRPAGVPLVYEALSWQHGVFVGAAMRSEA--------KVIMHDPFAMRPFFGYNFGKYLAHWLSMA-HRPAAKLPKIFHVNWFRKDKNGKFLWPGFGENSRVLEWMFGRIEGEDSAKLTPIGYVPKEDALNLKGLGDVNVEEL---FGISKEFWEKEVEEIDKYLEDQVNADLPYEIERELRALKQRI-
Receptor file (based on 2RK8) :2RK8_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2RK8
Information :PDB LYASE 16-OCT-07 XXXX

Ligand:

Ligand pdb file :2RK8_PPF_B_8.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :PPF_B_8
Ligand Type:non-polymer
Ligand Weight:126.005
Ligand Info:PHOSPHONOFORMIC ACID
Cofactor(s):
2RK8/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2RK8_PPF_B_8_Into_2RK8_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):0 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-0.35 [pKa]
Docking affinity (XScore Software):-5.21 [pKa]
Docking affinity (DSX-Score Software):-3.74 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.1 [pKa]

Useful files:

Alignment file with ligand : complex.pir