Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMLKTFILIMNMENEKAHITKVKLPIFLDYQSTTKVDPRVLEMMIPYFS-EFSNAHSRSHSFGWAAEEVVEKARRHIADLVNADSKEIIFTSGATESNNMAIKGVAHFYKNKGD-HIITVCTEHKCVLDSCRHLENEGFKVTYLPVKRNGIIDLSKLEEAITDRTILVSVMMVNNEIGVIQPVKEIGAICRRHNVFFHTDAAQSFGKVPVDVNGMNIDLMSLTSHKVYGPMGIGALYVRRK----SPRVRLTPLISGGGQERGMRSGTVPTPLAVGFGEAARIAKEEMKKEASKLEELRDILYNKIKEAFPDVVLNGDYNNRIPGNLNLSFPYVEGESLIMAIKDL-AVSSGSACTSASLEPSYVIRSLNSGYDLEHSSIRFGLGRFTTKDEILYAADLIAKNVGRLREMSPLWEMVQEGIDLNTVKWDSH
3VAX Chain:B (23-374)-------------------------YLDAAATTRVDQRVADIVLHWMTAEFGNAGSR-HEYGIRAKRGVERAREYLASTVSAEPDELIFTSGATESNNIALLGLAPYGERTGRRHIITSAIEHKAVLEPLEHLAGRGFEVDFLTPGPSGRISVEGVMERLRPDTLLVSLMHVNNETGVIQPVAELAQQLRATPTYLHVDAAQGYGKVPGDLT-TPIDMISISGHKIGAPKGVGALVTRRREEMDDERVPLEPIMFGGGQERKLRPGTLPVPLIMGLAEAAKIFEAEHAQWQVAAQDLRSRLLAGL--ASTSFQVNGDQDHVVPHILNLSFEDVDAEAFLVTLKDLVAVATGSASTSASFTPSHVLRAMGLPEEAASKSLRFSWTPG--------------------------------------------
Receptor file (based on 3VAX) :3VAX_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :3VAX
Information :PDB TRANSFERASE 30-DEC-11 XXXX

Ligand:

Ligand pdb file :3VAX_PLP_B_4.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :PLP_B_4
Ligand Type:non-polymer
Ligand Weight:247.144
Ligand Info:PYRIDOXAL-5'-PHOSPHATE
Cofactor(s):
3VAX/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 3VAX_PLP_B_4_Into_3VAX_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):0.01 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-0.29 [pKa]
Docking affinity (XScore Software):-4.51 [pKa]
Docking affinity (DSX-Score Software):-5.25 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.4 [pKa]

Useful files:

Alignment file with ligand : complex.pir