Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMREIVHIQAGQCGNQIGAKFWEVISDEHGIDPSGNYVGDSDLQLERISVYYNEASSHKYVPRAILVDLEPGTMDSVRSGAFGHLFRPDNFIFGQSGAGNNWAKGHYTEGAELVDSVLDVVRKECENCDCLQGFQLTHSLGGGTGSGMGTLLISKVREEYPDRIMNTFSVVPSPKVSDTVVEPYNATLSIHQLVENTDETYCIDNEALYDICFRTLKLATPTYGDLNHLVSATMSGVTTSLRFPGQLNADLRKLAVNMVPFPRLHFFMPGFAPLTARGSQQYRALTVPELTQQMFDAKNMMAACDPRHGRYLTVATVFRGRMSMKEVDEQMLAIQSKNSSYFVEWIPNNVKVAVCDIPPRG--------LKMSSTFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEAESNMNDLVSEYQQYQDATAEEEGEMYEDDEEESEAQGPKENTREESDIFFERENTES
5ND4 Chain:A (1-409)-RECISIHVGQAGVQIGNACWELYCLEHGIQP------------------------DGHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAANNYARGHYTIGKEIIDLVLDRIRKLADQCTGLQGFSVFHSFGGGTGSGFTSLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAFMVDNEAIYDICRRNLDIERPTYTNLNRLIGQIVSSITASLRFDGALNVDLTEFQTNLVPYPRGHFPLATYAPVISAEKAYHEQLSVAEITNACFEPANQMVKCDPRHGKYMACCLLYRGDVVPKDVNAAIATIKTKRTIQFVDWCPTGFKVGINYEPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYAKRAFVHWYVGEGMEEGEFSEAREDMAALEKDYEEVG------------------------------------------
Receptor file (based on 5ND4) :5ND4_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :5ND4
Information :PDB MOTOR PROTEIN XXXX

Ligand:

Ligand pdb file :5ND4_GTP_A_7.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :GTP_A_7
Ligand Type:non-polymer
Ligand Weight:523.180
Ligand Info:GUANOSINE-5'-TRIPHOSPHATE
Cofactor(s):
5ND4/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 5ND4_GTP_A_7_Into_5ND4_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):0 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):5.77 [pKd]
Docking affinity (XScore Software):7.63 [pKd]
Docking affinity (DSX-Score Software):5.48 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):6.3 [pKd]

Useful files:

Alignment file with ligand : complex.pir