Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSQPLFKKVAFIGLGLIGSSLARVIVVEKLATTIVASTRSQKTLEDAKSLGLIQEGFSDPVEAVKGADLVVLALPVRATQKVLEQIKPYLSEATIVTDVGSTKGNVVDAAKAVFGEDLPAGFVPGHPIAGIEHTGVHAGKVDLFANHKVILTPLPTSAEWAVEKLIQLWSAAKAEVICMDVAKHDEVLAHTSHLPHLMAFNLVEQLANREDNLDIFRYAAGGFRDFSRIAASDPQMWHDIFFANKTAILNAVDGFEKQLTVLRKLIENEDSHALMGLLGHAQAARQHFNHMLAKKPLMEKNKVTQQFSILPGNKAFKGKFTVPGDKSVSHRSIMFGAIAEGTTHVTGFLEGEDALATLQAFRDMGVSIEGPKNGEV-TIHGVGMHGLKAPASALYMGNSGTSMRLLSGMLSAQKFDSVMTGDASLSKRPMERIAKPLRLMGAQIQTTGEKGTP-PVSITGGQQLKGIQYDLPMASAQVKSGILLAGLWAEGETSVTEPEPTRDHTERMLRAFGYDVKTEGN-----KISLVGGGKLVGTNIQVPSDISSAAFFMVGAAITEGADVVLEAVGINPTRTGVIEILKQMGADLTVENERIAGGEPIADIHIKGSRTLKGIHMPEDQVPLAIDEFPALFIAAACAEGQTVLTGAAELRVKESDRIQVMADGLKIMGIDCTPTEDGIIIEGKGKSGDWSPIFAGGEIESHHDHRIAMSFSMAGLRTSGPITIHGTETVATSFPTFTELANRAGLTIEVSQ
2GG6 Chain:A (15-450)------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SSGLSGTVRIPGDKSISHRSFMFGGLASGETRITGLLEGEDVINTGKAMQAMGARIR--KEGDTWIIDGVGNGGLLAPEAPLDFGNAATGCRLTMGLVGVYDFDSTFIGDASLTKRPMGRVLNPLREMGVQVKS--EDGDRLPVTLRGPKTPTPITYRVPMASAQVKSAVLLAGLNTPGITTVIEPIMTRDHTEKMLQGFGANLTVETDADGVRTIRLEGRGKLTGQVIDVPGDPSSTAFPLVAALLVPGSDVTILNVLMNPTRTGLILTLQEMGADIEVINPRLAGGEDVADLRVRSS-TLKGVTVPEDRAPSMIDEYPILAVAAAFAEGATVMNGLEELRVKESDRLSAVANGLKLNGVDCDEGETSLVVRGR-PDGKGLGNASGAAVATHLDHRIAMSFLVMGLVSENPVTVDDATMIATSFPEFMDLMAGLGAKIELS-
Receptor file (based on 2GG6) :2GG6_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2GG6
Information :PDB TRANSFERASE 23-MAR-06 XXXX

Ligand:

Ligand pdb file :2GG6_S3P_A_4.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :S3P_A_4
Ligand Type:non-polymer
Ligand Weight:254.133
Ligand Info:SHIKIMATE-3-PHOSPHATE
Cofactor(s):
2GG6/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2GG6_S3P_A_4_Into_2GG6_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):1.97 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):4.92 [pKd]
Docking affinity (XScore Software):6.17 [pKd]
Docking affinity (DSX-Score Software):5.10 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):4.5 [pKd]

Useful files:

Alignment file with ligand : complex.pir