Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTTSGHACPVPAVNGHMTHYPATPYPLLFPPVIGGLSLPPLHGLHGHPPPSGCSTPSPATIETQSTSSEELVPSPPSPLPPPRVYKPCFVCQDKSSGYHYGVSACEGCKGFFRRSIQKNMIYTCHRDKNCVINKVTRNRCQYCRLQKCFEVGMSKESVRNDRNKKKKETSKQECTESYEMTAELDDLTEKIRKAHQETFPSLCQLGKYTTNSSADHRVRLDLGLWDKFSELATKCIIKIVEFAKRLPGFTGLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFTFANQLLPLEMDDTETGLLSAICLICGDRQDLEEPTKVDKLQEPLLEALKIYIRKRRPSKPHMFPKILMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLENSEGHEPLTPSSSGNTAEHSPSISPSSVENSGVSQSPLVQ
4DM8 Chain:A (22-261)-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ESYEMTAELDDLTEKIRKAHQETFPSLCQLGKYTTNSSADHRVRLDLGLWDKFSELATKCIIKIVEFAKRLPGFTGLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFTFANQLLPLEMDDTETGLLSAICLICGDRQDLEEPTKVDKLQEPLLEALKIYIRKRRP--PHMFPKILMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLE----------------------------------------
Receptor file (based on 4DM8) :4DM8_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4DM8
Information :PDB TRANSCRIPTION/PROTEIN BINDING 07-FEB-12 XXXX

Ligand:

Ligand pdb file :4DM8_REA_A_5.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :REA_A_5
Ligand Type:non-polymer
Ligand Weight:300.440
Ligand Info:RETINOIC ACID
Cofactor(s):
4DM8/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4DM8_REA_A_5_Into_4DM8_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-6.95 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-10.63 [pKa]
Docking affinity (XScore Software):-9.15 [pKa]
Docking affinity (DSX-Score Software):-7.35 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-8.5 [pKa]

Useful files:

Alignment file with ligand : complex.pir