Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTPNSMTENGLTAWDKPKHCPDREHDWKLVGMSEACLHRKSHSERRSTLKNEQSSPHLIQTTWTSSIFHLDHDDVNDQSVSSAQTFQTEEKKCKGYIPSYLDKDELCVVCGDKATGYHYRCITCEGCKGFFRRTIQKNLHPSYSCKYEGKCVIDKVTRNQCQECRFKKCIYVGMATDLVLDDSKRLAKRKLIEENREKRRREELQKSIGHKPEPTDEEWELIKTVTEAHVATNAQGSHWKQKRKFLPEDIGQAPIVNAPEGGKVDLEAFSHFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGMSLSSFNLDDTEVALLQAVLLMSSDRPGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFED
1NQ1 Chain:A (4-263)---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EELQKSIGHKPEPTDEEWELIKTVTEAHVATNAQGSHWKQKQKFLPDDIGQ----------KVDLEAFSHFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGMSLSSFNLDDTEVALLQAVLLMSSDRPGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFED
Receptor file (based on 1NQ1) :1NQ1_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1NQ1
Information :PDB HORMONE/GROWTH FACTOR RECEPTOR 20-JAN-03 XXXX

Ligand:

Ligand pdb file :1NQ1_4HY_A_2.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :4HY_A_2
Ligand Type:non-polymer
Ligand Weight:621.936
Ligand Info:[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
Cofactor(s):
1NQ1/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1NQ1_4HY_A_2_Into_1NQ1_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):9.17 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):8.35 [pKd]
Docking affinity (XScore Software):11.18 [pKd]
Docking affinity (DSX-Score Software):5.78 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):8.6 [pKd]

Useful files:

Alignment file with ligand : complex.pir