Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMLKTFILIMNMENEKAHITKVKLPIFLDYQSTTKVDPRVLEMMIPYFSEFSNAHSRSHSFGWAAEEVVEKARRHIADLVNADSKEIIFTSGATESNNMAIKGVAHFYKNKGDHIITVCTEHKCVLDSCRHLENEGFKVTYLPVKRNGIIDLSKLEEAITDRTILVSVMMVNNEIGVIQPVKEIGAICRRHNVFFHTDAAQSFGKVPVDVNGMNIDLMSLTSHKVYGPMGIGALYVRRKSPRVRLTPLISGGGQERGMRSGTVPTPLAVGFGEAARIAKEEMKKEASKLEELRDILYN---KIKEAFPDVVLNGDYNNRIPGNLNLSFPYVEGESLIMAIKDLA---VSSGSACTSASLEPSYVIRSLNSGYDLEHSSIRFGLGRFTTKDEILYAADLIAKNVGRLREMSPLWEMVQEGIDLNTVKWDSH
4HVK Chain:A (3-378)-------------------------YFDYTSAKPVDERILEAMLPYMTESFGNPSSVHSYGFKAREAVQEAREKVAKLVNGGGGTVVFTSGATEANNLAIIGYAMRNARKGKHILVSAVEHMSVINPAKFLQKQGFEVEYIPVGKYGEVDVSFIDQKLRDDTILVSVQHANNEIGTIQPVEEISEVL-AGKAALHIDATASVGQIEVDVEKIGADMLTISSNDIYGPKGVGALWIRKEA---KLQPVILGGGQENGLRSGSENVPSIVGFGKAAEITAMEWREEAERLRRLRDRIIDNVLKIEESY----LNGHPEKRLPNNVNVRFSYIEGESIVLSL-DMAGIQASTG--------QPSHVLMACGLKHEEAHGTLLLTLGRYNTDEDVDRLLEVLPGVIERLRSMSP-------------------
Receptor file (based on 4HVK) :4HVK_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4HVK
Information :PDB TRANSFERASE 06-NOV-12 XXXX

Ligand:

Ligand pdb file :4HVK_PMP_A_5.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :PMP_A_5
Ligand Type:non-polymer
Ligand Weight:248.175
Ligand Info:4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE
Cofactor(s):
4HVK/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4HVK_PMP_A_5_Into_4HVK_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-0.97 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-3.68 [pKa]
Docking affinity (XScore Software):-4.32 [pKa]
Docking affinity (DSX-Score Software):-4.31 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.3 [pKa]

Useful files:

Alignment file with ligand : complex.pir