Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMIVLGLETSCDETGLALYDSELGLRGQVLYSQIKLHAEYGGVVPELASRDHVRKLIPLMNQLLEQSGVKKQEIDAVAYTRGPGLMGALMTGALFGRTLAFSLNKPAIGVHHMEGHMLAPLLSSQPPEFPFVALLVSGGHTQLMVVHGIGQYELLGESIDDAAGEAFDKVAKMMNLPYPGGPNIAKLALSGDPLAFEFPRPMLHQGLDFSFSGLKTAVSVQLKKLNGENRDADIAASFQEAIVDTLVKKSVKALKQTGLKRLVIAGGVSANLRLREQLETSLARIKAQVYYAEPALCTDNGAMIAFAGYQRLKAGQH---DGLAVTTTPRWPMTELTIPE
2VWB Chain:A (1-322)MICLGLEGTAEKTGVGIVTSD----GEVLFNKTIM----------EAADHHAETFPKLIKEAFEV--VDKNEIDLIAFSQGPGLGPSLRVTATVARTLSLTLKKPIIGVNHCIAHIEIGKLTTEA-EDP-LTLYVSGGNTQV-IAYVSKKYRVFGETLDIAVGNCLDQFARYVNLPHPGGPYIEELARKGKKLV---DLPYTVKGMDIAFSGLLTAA---MRAYDAGERLEDICYSLQEYAFSMLTEITERALAHTNKGEVMLVGGVAANNRLREMLKAMCEGQNVDFYVPPKEFCGDNGAMIAWLGLLMHKNGRWMSLDETKIIPNYRTDMVEVN---
Receptor file (based on 2VWB) :2VWB_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2VWB
Information :PDB HYDROLASE 20-JUN-08 XXXX

Ligand:

Ligand pdb file :2VWB_ANP_A_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ANP_A_3
Ligand Type:non-polymer
Ligand Weight:506.199
Ligand Info:PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Cofactor(s):
2VWB/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2VWB_ANP_A_3_Into_2VWB_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):1.89 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):6.65 [pKd]
Docking affinity (XScore Software):10.19 [pKd]
Docking affinity (DSX-Score Software):6.84 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):6.4 [pKd]

Useful files:

Alignment file with ligand : complex.pir