Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMFANISISEFDPELAQAIASEDERQEAHIELIASENYCSPAVMEAQGSKLTNKYAEGYPGKRYYGGCEFVDVIEQMAIDRAKELFGADYANVQPHAGSQANSAVYLALLNPGDTVLGMSLAHGGHLTHGAKVSFSGKTYNAVQYGLNAETGEIDYEEVERLALEHKPRMIVAGFSAYSRVVDWQRFRDIADKVGAYLFVDMAHVAGLVAAGVYPNPVQIADVTTTTTHKTLRGPRSGLILAKANEEIEKKLQSAVFPGNQGGPLMHAIAAKAICFKVAMSDDFKAYQKQVVKNAQAMAEVFIARGYDVVSGGTDNHLFLLSLIKQDVTGKDADAWLGAAHITVNKNSVPNDPRSPFVTSGIRIGTPAVTTRGFGETEVRELAGWIADVIDSKGDEKVIADVKAKVEAVCAKFPVYAK
2W7K Chain:A (4-404)------LPQQDPQVFAAIEQERKRQHAKIELIASENFVSRAVMEAQGSVLTNKYAEGYPGRRYAGGCEYVDIVEELARERAKQLFGAEHANVQPHSGAQANMAVYFTVLEHGDTVLGMNLSHGGHLTHGSPVNFSGVQYNFVAYGVDPETHVIDYDDVREKARLHRPKLIVAAASAYPRIIDFAKFREIADEVGAYLMVDMAHIAGLVAAGLHPNPVPYAHFVTTTTHKTLRGPRGGMILCQ--EQFAKQIDKAIFPGIQGGPLMHVIAAKAVAFGEALQDDFKAYAKRVVDNAKRLASALQNEGFTLVSGGTDNHLLLVDLRPQQLTGKTAEKVLDEVGITVNKNTIPYDPESPFVTSGIRIGTAAVTTRGFGLEEMDEIAAIIGLVLKNVGSEQALEEARQRVAALT--------
Receptor file (based on 2W7K) :2W7K_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2W7K
Information :PDB TRANSFERASE 22-DEC-08 XXXX

Ligand:

Ligand pdb file :2W7K_PLP_A_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :PLP_A_3
Ligand Type:non-polymer
Ligand Weight:247.144
Ligand Info:PYRIDOXAL-5'-PHOSPHATE
Cofactor(s):
2W7K/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2W7K_PLP_A_3_Into_2W7K_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):2.85 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):4.72 [pKd]
Docking affinity (XScore Software):4.53 [pKd]
Docking affinity (DSX-Score Software):5.16 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):4.3 [pKd]

Useful files:

Alignment file with ligand : complex.pir