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_IPR_A_9.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :IPR_A_9
Ligand Type:non-polymer
Ligand Weight:248.109
Ligand Info:ISOPENTYL PYROPHOSPHATE
Cofactor(s):
1RQJ/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1RQJ_IPR_A_9_Into_1RQJ_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):3.63 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):5.94 [pKd]
Docking affinity (XScore Software):5.07 [pKd]
Docking affinity (DSX-Score Software):4.88 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):4.9 [pKd]

Useful files:

Alignment file with ligand : complex.pir