Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMEEVEVAEVKNARVSLTGEKTKPMKLAEVTSINVNRTKTEMEEFNRVLGGGVVPGSLVLIGGDPGIGKSTLLLQVSTQLSQVGTVLYVSGEESAQQIKLRAERLGDIDSEFYLYAETNMQSVRAEVERIQPDFLIIDSIQTIMSPEISGVQGSVSQVREVTAELMQLAKTNNIAIFIVGHVTKEGTLAGPRMLEHMVDTVLYFEGERHHTFRILRAVKNRFGSTNEIGIFEMQSGGLVEVLNPSQVFLEERLDGATGSSIVVTMEGTRPILAEVQALVTPTMFGNAKRTTTGLDFNRASLIMAVLEKRAGLLLQNQDAYLKSAGGVKLDEPAIDLAVAVAIASSYKDKPTNPQECFVGELGLTGEIRRVNRIEQRINEAAKLGFTKIYVPKNSLTGITLPKEIQVIGVTTIQEVLKKVFA
5LKM Chain:C (66-452)--------------------------------NVNRTKTEMEEFNRVLGGGVVPGSLVLIGGDPGIGKSTLLLQVSTQLSQVGTVLYVSGEESAQQIKLRAERLGDIDSEFYLYAETNMQSVRAEVERIQPDFLIIDSIQTIMSP-------SVSQVREVTAELMQLAKTNNIAIFIVGHVT-------PRMLEHMVDTVLYFEGERHHTFRILRAVKNRFGSTNEIGIFEMQSGGLVEVLNPSQVFLEERLDGATGSSIVVTMEGTRPILAEVQALVTPTMFGNAKRTTTGLDFNRASLIMAVLEKRAGLLLQNQDAYLKSAGGVKLDEPAIDLAVAVAIASSYKDKPTNPQECFVGELGLTGEIRRVNRIEQRINEAAKLGFTKIYVPKNSLTGITLPKEIQVIGVTTIQEVLKKVF-
Receptor file (based on 5LKM) :5LKM_CHAIN_C.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :5LKM
Information :PDB DNA BINDING PROTEIN 22-JUL-16 XXXX

Ligand:

Ligand pdb file :5LKM_TYD_C_8.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :TYD_C_8
Ligand Type:non-polymer
Ligand Weight:402.188
Ligand Info:THYMIDINE-5'-DIPHOSPHATE
Cofactor(s):
5LKM/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 5LKM_TYD_C_8_Into_5LKM_CHAIN_C.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):4.44 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):5.13 [pKd]
Docking affinity (XScore Software):6.28 [pKd]
Docking affinity (DSX-Score Software):6.05 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):5.5 [pKd]

Useful files:

Alignment file with ligand : complex.pir