Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMVIDFKQDILAPVATDFAAMDHLINEGISSKVGLVMSVSKHVVEAGGKRMRPIMCLLAARACGLD-NMQNAQRLAAIIEMLHTATLVHDDVVDESG--LRRGRPTANATWNNQTAVLVGDFLIARAFDLLVDLN--------NMTLLKDFST--GTCEIAEGEVLQL--QSQHQP-DTTEETYLKIIHGKTSRLFELATEGAAILAGQEAYR--EPLRLFAGHFGNAFQIIDDILDYTSDAETLGKNIGDDLMEGKPTLPLISALAHSTGEEHAIIRRSIATGGVDQLPKVIEIVQKSGALDYCQRRAQEETEAALQALSILPDTPYRQALINLTRLALHRIQ
1RQJ Chain:A (43-267)---------------------------------------------GGKRLRPFLVYATGHMFGVSTNTLDAP--AAAVECIHAYSLIHDDLPAMDDDDLRRGLPTCHVKFGEANAILAGDALQTLAFSILSDADMPEVSDRDRISMISELASASGIAGMCGGQALDLDAEGKHVPLDALE----RIHRHKTGALIRAAVRLGALSAGDKGRRALPVLDKYAESIGLAFQVQDDILDVVGDTATLGKRQGADQQLGKSTYPALLGLEQARKKARDLI-------------------------------------------------------------------
Receptor file (based on 1RQJ) :1RQJ_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1RQJ
Information :PDB TRANSFERASE 05-DEC-03 XXXX

Ligand:

Ligand pdb file :1RQJ_RIS_A_10.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :RIS_A_10
Ligand Type:non-polymer
Ligand Weight:283.114
Ligand Info:1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID
Cofactor(s):
1RQJ/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1RQJ_RIS_A_10_Into_1RQJ_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):0.39 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):3.79 [pKd]
Docking affinity (XScore Software):6.25 [pKd]
Docking affinity (DSX-Score Software):4.96 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):3.8 [pKd]

Useful files:

Alignment file with ligand : complex.pir