Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMPLGLLWLGLALLGALHAQAQDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGCQPGEFTLGNIKSYPGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKENFIRFSKSLGLPENHIVFPVPIDQCIDG
3HWE Chain:A (24-197)-----------------------TSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGSQPGEFTLGNIKSYPGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKENFIRFSKSLGLPENHIVFPVPIDQCID-
Receptor file (based on 3HWE) :3HWE_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :3HWE
Information :PDB TRANSPORT PROTEIN 17-JUN-09 XXXX

Ligand:

Ligand pdb file :3HWE_RKS_A_6.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :RKS_A_6
Ligand Type:non-polymer
Ligand Weight:540.569
Ligand Info:METHYL N~6~-ACETYL-N~2~-[(2,3-DIHYDROXYPHENYL)CARBONYL]-N~6~-HYDROXY-D-LYSYL-N~6~-ACETYL-N~6~-HYDROXY-L-LYSINATE
Cofactor(s):
3HWE/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 3HWE_RKS_A_6_Into_3HWE_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):4.71 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):6.95 [pKd]
Docking affinity (XScore Software):5.65 [pKd]
Docking affinity (DSX-Score Software):5.57 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):5.7 [pKd]

Useful files:

Alignment file with ligand : complex.pir