Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMHLATETAPSMATYSSTYFNSSLHAHSTSVSSSNLAAMNSLDTHPGYMGNSLNGPRSMTTNMNSMCSPGNNIGLPYRVIASSMGPHSLPSPTILNYPGHESPPFNILNNVSCSEDIKPPPGLSSLGSPCMNNYSCNSPGALTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTIRKDLVYTCRDSKDCLIDKRQRNRCQYCRYQKCLAMGMKREAVQEERQRSREKSDTEAESTSSTSEEMPVERILEAELAVDPKIEAFGDAGLPNSTNDPVTNICHAADKQLFTLVEWAKRIPYFSDLPLEDQVILLRAGWNELLIASFSHRSVSVQDGILLATGLHVHRSSAHNAGVGSIFDRVLTELVSKMKDMDMDKSELGCLRAIVLFNPDAKGLSNAAEVEALREKVYATLESYTKQKYPDQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLETPHQIS
3R2A Chain:A (4-231)--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ANEDMPVERILEAELAVEPK--------------DPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLME---------
Receptor file (based on 3R2A) :3R2A_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :3R2A
Information :PDB TRANSCRIPTION 14-MAR-11 XXXX

Ligand:

Ligand pdb file :3R2A_RHN_A_7.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :RHN_A_7
Ligand Type:non-polymer
Ligand Weight:284.225
Ligand Info:4,5-DIHYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-CARBOXYLIC ACID
Cofactor(s):
3R2A/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 3R2A_RHN_A_7_Into_3R2A_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-1.88 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-2.13 [pKa]
Docking affinity (XScore Software):-6.17 [pKa]
Docking affinity (DSX-Score Software):-4.78 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.7 [pKa]

Useful files:

Alignment file with ligand : complex.pir