Protein/Ligand Complex result page :


Receptor Model:

Query sequenceNNSLVPKYHPNFWMDGKWRCCSQLEKLATGCAQYDPTKNASKKPLPPTPEDNRRPLWEPEETVVIALYDYQTNDPQELALRRNEEYCLLDSSEIHWWRVQDRNGHEGYVPSSYLVEKSPNNLETYEWYNKSISRDKAEKLLLDTGKEGAFMVRDSRTAGTYTVSVFTKAVVSENNPCIKHYHIKETNDNPKRYYVAEKYVFDSIPLLINYHQHNGGGLVTRLRYPVCFGRQKAPVTAGLRYGKWVIDPSELTFVQEIGSGQFGLVHLGYWLNK---DKVAIKTIREGAMS--EEDFIEEAEVMMKLSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGMCLDVCEGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFGMTRFVLDDQYTSSTGTKFPVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAEIAESGL
1MQB Chain:A (38-309)--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TTEIHPSCVTRQKVIGAGEFGEVYKGMLKT-KKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGL---------------KIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIR---
Receptor file (based on 1MQB) :1MQB_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1MQB
Information :PDB TRANSFERASE 16-SEP-02 XXXX

Ligand:

Ligand pdb file :1MQB_ANP_C_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ANP_C_3
Ligand Type:non-polymer
Ligand Weight:506.199
Ligand Info:PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Cofactor(s):
1MQB/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1MQB_ANP_C_3_Into_1MQB_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-1.22 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-2.05 [pKa]
Docking affinity (XScore Software):-6.85 [pKa]
Docking affinity (DSX-Score Software):-5.59 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.9 [pKa]

Useful files:

Alignment file with ligand : complex.pir