Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMNYSEVELLSRAHQLFAGDSRRPGLDAGTTPYGDLLSRAADLNVGAGQRRYQLAVDHSRAALLSAARTDAAAGAVITGAQRDRAWARRSTGTVLDEARSDTTVTAVMPIAQREAIRRRVARLRAQRAHVL-TARRRARRHLAALRALRYRVAHGPGVALAKLRLPSPSGR--AGIAVHAALSRLGRPYVWG---ATGPNQ----------FDCSGLVQWAYAQAGVHLDRTTYQQINEGIPVPRSQVRPGDLVFPHPG---HVQLAIGNNLVVEAPHAGASVRVSSLGNNVQIRRPLSGR
4Q4T Chain:A (285-457)-----------------------------------------------------------------------------------------------------------------AVVNQVLGISATSAQVTANMGRKFLEQLGILQPTDTGITNAP-AGSAQGRIPRVYGRQASEYVIRRGMSQIGVPYSWGGGNAAGPSKGIDSGAGTVGFDCSGLVLYSFAGVGIKLPHYSGSQYNLGRKIPSSQMRRGDVIFYGPNGSQHVTIYLGNGQMLAAPDVGLKVRVAPV-------------
Receptor file (based on 4Q4T) :4Q4T_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4Q4T
Information :PDB HYDROLASE 15-APR-14 XXXX

Ligand:

Ligand pdb file :4Q4T_FMT_A_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :FMT_A_3
Ligand Type:non-polymer
Ligand Weight:46.026
Ligand Info:FORMIC ACID
Cofactor(s):
4Q4T/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4Q4T_FMT_A_3_Into_4Q4T_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):0 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):0 [pKa]
Docking affinity (XScore Software):-3.53 [pKa]
Docking affinity (DSX-Score Software):-3.78 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.7 [pKa]

Useful files:

Alignment file with ligand : complex.pir