Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMHIAALHQPSQVQLNQDGNLKHFLTIEGLSKENLTKILDTAQSFLDDNNNLINRPLLEGRTVMNLFFENSTRTRTTFEAAAKRLSANVLNIDIARSSTSKGETLRDTLWNLEAMAADIFVVRHSSSGAAHFIAKDVCPKVAIINAGDGRHAHPTQAMLDMLTIRREMKKPFEDLSVAIIGDIKHSRVARSDVAALQTLGCKDIRVIAPNTLLPVGFSEYGDHVRLFN---NMDEGITGCDVIIALRIQNERIDSPALSSQSEFYRMYGLNKERLSLAKPDCIVMHPGPMNRGVEIDSSIADGEQSVILKQVTNGIAVRMAVLALSMQGQLQEQGLIDAIAL
3R7F Chain:A (1-290)-------------------MKHLTTMSELSTEEIKDLLQTAQELKSGKTD----NQLTGKFAANLFFEPSTRTRFSFEVAEKKLGMNVLNLDGTSTSVQKGETLYDTIRTLESIGVDVCVIRHSEDEYYEELVSQV--NIPILNAGDGCGQHPTQSLLDLMTIYEEF-NTFKGLTVSIHGDIKHSRVARSNAEVLTRLGAR---------VLFSGPSEWQDEENTFGTYVSMDEAVESSDVVMLLRIQNERHQSAV--SQEGYLNKYGLTVERAERMKRHAIIMHPAPVNRGVEIDDSLVESEKSRIFKQMKNGVFIRMAVIQRALQ--------------
Receptor file (based on 3R7F) :3R7F_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :3R7F
Information :PDB TRANSFERASE 22-MAR-11 XXXX

Ligand:

Ligand pdb file :3R7F_CP_A_4.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :CP_A_4
Ligand Type:non-polymer
Ligand Weight:141.020
Ligand Info:PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
Cofactor(s):
3R7F/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 3R7F_CP_A_4_Into_3R7F_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):2.22 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):4.84 [pKd]
Docking affinity (XScore Software):6.02 [pKd]
Docking affinity (DSX-Score Software):4.87 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):4.5 [pKd]

Useful files:

Alignment file with ligand : complex.pir