Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMFANISISEFDPELAQAIASEDERQEAHIELIASENYCSPAVMEAQGSKLTNKYAEGYPGKRYYGGCEFVDVIEQMAIDRAKELFGADYANVQPHAGSQANSAVYLALLNPGDTVLGMSLAHGGHLTHGAKVSFSGKTYNAVQYGLNAETGEIDYEEVERLALEHKPRMIVAGFSAYSRVVDWQRFRDIADKVGAYLFVDMAHVAGLVAAGVYPNPVQIADVTTTTTHKTLRGPRSGLILAKANEEIEKKLQSAVFPGNQGGPLMHAIAAKAICFKVAMSDDFKAYQKQVVKNAQAMAEVFIAR-GYDVVSGGTDNHLFLLSLIKQDVTGKDADAWLGAAHITVNKNSVPNDPRSPFVTSGIRIGTPAVTTRGFGETEVRELAGWIADVIDSKGDEKVIADVKAKVEAVCAKFPVYAK
4WXF Chain:C (23-428)---------FDPELWNAIDAEAERQQNNIELIASENVVSKAVMAAQGTLLTNKYAEGYPGKRYYGGTAVIDVVETLAIERAKKLFGAKFANVQPHSGSQANAAVYMSLIQPGDTVMGMDLSAGGHLTHGAPVSFSGKTYNFVSYNVDKESELLDYDAILAQAKEVRPKLIVAGASAYSRIIDFAKFREIADAVGAYLMVDMAHIAGLVASGHHPSPVPYAHVTTTTTHKTLRGPRGGLILTD-DEDIAKKLNSAVFPGLQGGPLEHVIAAKAVALKEALDPAFKEYGENVIKNAAAMADVFNQHPDFRVISGGTNNHLFLVDVTKVVENGKVAQNVLEEVNITLNKNSIPYEQLSPFKTSGIRVGSPAITSRGMGEAESRQIAEWMVEALENHDKPEVLERIRGDVKVLTDAFPLY--
Receptor file (based on 4WXF) :4WXF_CHAIN_C.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4WXF
Information :PDB TRANSFERASE 13-NOV-14 XXXX

Ligand:

Ligand pdb file :4WXF_PLG_C_6.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :PLG_C_6
Ligand Type:non-polymer
Ligand Weight:306.209
Ligand Info:N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE]
Cofactor(s):
4WXF/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4WXF_PLG_C_6_Into_4WXF_CHAIN_C.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):4.02 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):6.02 [pKd]
Docking affinity (XScore Software):5.7 [pKd]
Docking affinity (DSX-Score Software):5.65 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):5.3 [pKd]

Useful files:

Alignment file with ligand : complex.pir