Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMGGRSSCEDPGCPRDEERAPRMGCMKSKFLQVGGNTFSKTETSASPHCPVYVPDPTSTIKPGPNSHNSNTPGIREAGSEDIIVVALYDYEAIHHEDLSFQKGDQMVVLEESGEWWKARSLATRKEGYIPSNYVARVDSLETEEWFFKGISRKDAERQLLAPGNMLGSFMIRDSETTKGSYSLSVRDYDPRQGDTVKHYKIRTLDNGGFYISPRSTFSTLQELVDHYKKGNDGLCQKLSVPCMSSKPQKPWEKDAWEIPRESLKLEKKLGAGQFGEVWMATYNKHTKVAVKTMKPGSMSVEAFLAEANVMKTLQHDKLVKLHAVVTKE-PIYIITEFMAKGSLLDFLKSDEGSKQPLPKLIDFSAQIAEGMAFIEQRNYIHRDLRAANILVSASLVCKIADFGLARVIEDNEYTAREGAKFPIKWTAPEAINFGSFTIKSDVWSFGILLMEIVTYGRIPYPGMSNPEVIRALERGYRMPRPENCPEELYNIMMRCWKNRPEERPTFEYIQSVLDDFYTATESQYQQQP
2ZV8 Chain:A (6-268)-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AWEIPRESIKLVKKLGAGQFGEVWMGYYNNSTKVAVKTLKPGTMSVQAFLEEANLMKTLQHDKLVRLYAVVTKEEPIYIITEFMAKGSLLDFLKSDEGGKVLLPKLIDFSAQIAEGMAYIERKNYIHRDLRAANVLVSESLMCKIADFGLARVI-------REGAKFPIKWTAPEAINFGCFTIKSNVWSFGILLYEIVTYGKIPYPGRTNADVMSALSQGYRMPRMENCPDELYDIMKMCWKEKAEERPTFDYLQSVLDDFY-----------
Receptor file (based on 2ZV8) :2ZV8_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2ZV8
Information :PDB TRANSFERASE 04-NOV-08 XXXX

Ligand:

Ligand pdb file :2ZV8_ANP_A_2.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ANP_A_2
Ligand Type:non-polymer
Ligand Weight:506.199
Ligand Info:PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Cofactor(s):
2ZV8/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2ZV8_ANP_A_2_Into_2ZV8_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-1.54 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-2.25 [pKa]
Docking affinity (XScore Software):-6.85 [pKa]
Docking affinity (DSX-Score Software):-5.09 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.9 [pKa]

Useful files:

Alignment file with ligand : complex.pir