Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMNEKIIEIKHLRKSFGENEVLKDISVTVNKGEVVTIIGSSGSGKSTFLRCINLLEKPTGGEIIYNGENVLAPKYNLPKYRTNLGMVFQSFNLFNNMNVLENCMSGQTTVLKRDKETAKKVAIENLEKVGMDRYIEAKPAQLSGGQKQRVAIARALSMNPDVLLFDEPTSALDPEMVGEVLNTIKDLAHTGLTMLIVTHEMEFAKDVSDRVIFMDKGVIAEEGTPEDIFVHPKEERTKEFLSRILNA
2OLK Chain:A (23-263)---QMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKVF--
Receptor file (based on 2OLK) :2OLK_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2OLK
Information :PDB HYDROLASE 19-JAN-07 XXXX

Ligand:

Ligand pdb file :2OLK_AT4_A_5.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :AT4_A_5
Ligand Type:non-polymer
Ligand Weight:443.264
Ligand Info:5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADENOSINE
Cofactor(s):
2OLK/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2OLK_AT4_A_5_Into_2OLK_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):4.03 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):5.33 [pKd]
Docking affinity (XScore Software):8.78 [pKd]
Docking affinity (DSX-Score Software):5.83 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):6.0 [pKd]

Useful files:

Alignment file with ligand : complex.pir