Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTTLKNDRFLRALLREPVDTTPIWMMRQAGRYLPEYRETRSKAGDFLSLCKNTEFACEVTLQPLRRYDLDAAILFSDILTIPDALGLGLYFETGEGPKFHKTVRTEQDVANL--PKLNAKADLDYVMNAVSTIRSALGGQVPLIGFSGSPWTLATYMVEGGSSKEFRFTKQMMYAQPEVLHALLDHLADSVIDYLNAQIDAGAQAIQIFDSWGGALAHREYVEFSLNYMNKIIAGLQ---REKDGRRIPVIVFTKGGGQWLEPMITTGADALGLDWTTPLNTARNVVSGRVALQGNLDPAVLYGSAASIEKAVKAMLDDAYANGEKTGYVANLGHGITQWVDPAQPKIFVDTVHEYSAKYLG
1R3Q Chain:A (14-361)---LKNDTFLRAAWGEETDYTPVWCMRQAGRYLPEFRETRA-AQDFFSTCRSPEACCELTLQPLRRFPLDAAIIFSDILVVPQALGMEVTMVPGKGPSFPEPLREEQDLERLRDPEVVA-SELGYVFQAITLTRQRLAGRVPLIGFAGAPWTLMTYMVEGGGSSTMAQAKRWLYQRPQASHQLLRILTDALVPYLVGQVVAGAQALQLFESHAGHLGPQLFNKFALPYIRDVAKQVKARLREAGLAPVPMIIFAKDGHFALEELAQAGYEVVGLDWTVAPKKARECVGKTVTLQGNLDPCALYASEEEIGQLVKQMLDDFGPH----RYIANLGHGLYPDMDPEHVGAFVDAVHKHS-----
Receptor file (based on 1R3Q) :1R3Q_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1R3Q
Information :PDB LYASE 03-OCT-03 XXXX

Ligand:

Ligand pdb file :1R3Q_1CP_A_2.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :1CP_A_2
Ligand Type:non-polymer
Ligand Weight:660.766
Ligand Info:COPROPORPHYRIN I
Cofactor(s):
1R3Q/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1R3Q_1CP_A_2_Into_1R3Q_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):8.83 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):15.00 [pKd]
Docking affinity (XScore Software):10.72 [pKd]
Docking affinity (DSX-Score Software):9.50 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):11.0 [pKd]

Useful files:

Alignment file with ligand : complex.pir