Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMDLTKRFNKQLDKIQVSLIRQFDQVISEIPGVLRLTLGEPDFTTPDHVKEAAKRAIDQNQSYYTGMSGLLTLRQAASDFVKEKYQLDYAPENEILVTIGATEALSATLTAILEEGDKVLLPAPAYPGYEPIVNLVGAEIVEIDTTE-NGFVLTPEMLEKAILEQGDKLKAVILNYPANPTGITYSREQLEALAAVLRKYEIFVVCDEVYSELTYTGE-AHVSL-GT--MLRDQAIIINGLSKSHAMTGWRLGLIFAPATFTAQLIKSHQYLVTAANTMAQHAAVEALTAG--KNDAEPMKKEYIQRRDYIIEKMTALGFEIIKPDGAFYIFAKIPA-GYNQDSFAFLKDFAQKKAVAFIPGAAFGRYGEGYVRLSYAASMETIKEAMKRLEEYMREA
1GDE Chain:A (2-385)-----ALSDRLELVSASEIRKLFDIAAGMKDVISLGIGEPDFDTPQHIKEYAKEALDKGLTHYGPNIGLLELREAIAEKLKKQNGIEADPKTEIMVLLGANQAFLMGLSAFLKDGEEVLIPTPAFVSYAPAVILAGGKPVEVPTYEEDEFRLNVDELKKYV---TDKTRALIINSPCNPTGAVLTKKDLEEIADFVVEHDLIVISDEVYEHFIYDDARH-YSIASLDGMF-ERTITVNGFSKTFAMTGWRLGFVAAPSWIIERMVKFQMYNATCPVTFIQYAAAKALKDERSWKAVEEMRKEYDRRRKLVWKRLNEMGLPTVKPKGAFYIFPRIRDTGLTS--KKFSELMLKEARVAVVPGSAFGKAGEGYVRISYATAYEKLEEAMDRMERVLKE-
Receptor file (based on 1GDE) :1GDE_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1GDE
Information :PDB TRANSFERASE 23-SEP-00 XXXX

Ligand:

Ligand pdb file :1GDE_PLP_E_5.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :PLP_E_5
Ligand Type:non-polymer
Ligand Weight:247.144
Ligand Info:PYRIDOXAL-5'-PHOSPHATE
Cofactor(s):
1GDE/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1GDE_PLP_E_5_Into_1GDE_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):3.05 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):4.86 [pKd]
Docking affinity (XScore Software):6.22 [pKd]
Docking affinity (DSX-Score Software):5.44 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):4.9 [pKd]

Useful files:

Alignment file with ligand : complex.pir