Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMRIIKYLTILVISVVILTSCQSSSSQESTKSGEFRIVPTTVALTMTLDKLDLPIVGKPTSYKTLPNRYKDVPEIGQPMEPNVEAVKKLKPTHVLSVSTIKDEMQPFYKQLNMKGYFYDFDSLKGMQKSITQLGDQFNRKAQAKELNDHLNSVKQKIENKAAKQKKHPKVLILMGVPGSYLVATDKSYIGDLVKIAGGENVIKVKDRQYISSNTENLLNINPDIILRLPHGMPEEVKKMFQKEFKQNDIWKHFKAVKNNHVYDLEEVPFGITANVDADKAMTQLYDLFYKDKK
2Q8P Chain:A (3-260)-------------------------------GEFRIVPTTVALTMTLDKLDLPIVGKPTSYKTLPNRYKDVPEIGQPMEPNVEAVKKLKPTHVLSVSTIKDEMQPFYKQLNMKGYFYDFDSLKGMQKSITQLGDQFNRKAQAKELNDHLNSVKQKIENKAAKQKKHPKVLILMGVPGSYLVATDKSYIGDLVKIAGGENVIKVKDRQYISSNTENLLNINPDIILRLPHGMPEEVKKMFQKEFKQNDIWKHFKAVKNNHVYDLEEVPFGITANVDADKAMTQLYDLFYK---
Receptor file (based on 2Q8P) :2Q8P_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2Q8P
Information :PDB METAL TRANSPORT 11-JUN-07 XXXX

Ligand:

Ligand pdb file :2Q8P_HEM_A_2.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :HEM_A_2
Ligand Type:non-polymer
Ligand Weight:616.498
Ligand Info:PROTOPORPHYRIN IX CONTAINING FE
Cofactor(s):
2Q8P/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2Q8P_HEM_A_2_Into_2Q8P_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):Error [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-9.84 [pKa]
Docking affinity (XScore Software):-12.46 [pKa]
Docking affinity (DSX-Score Software):-9.46 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-10.6 [pKa]

Useful files:

Alignment file with ligand : complex.pir