Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMNKKTLKDIDVKGKVVFCRVDFNVPMKDG-EVTDDTRIRAALPTIKHLADQGAKVLLASHLGRPKGEVVEELRLTPVAARLGELLGKEVKKADEAYGDAVKAQISEMKDGDVLVLENVRFYPGEEKNDPELAKAFAELADVYVNDAFGAAHRAHASTAGIAEHLPAV---AGFLMEKELDVLGKAVSNPDRPFTAIIGGAKVKDKIGVIESLLDKVDNLIIGGGLAYTFVKALGYEVGKSLLEEDKIELAKSFMDRAKEKGVNFYMPEDVLVADDFSNDANVKIVPISEIPSDLEAIDIGTKTRETYADVIKNSKLVVWNGPMGVFEIDLFAQGTKAVAEALAEAKDTYSVIGGGDSAAAVEKFGLADKMSHISTGGGASLEFMEGKELPGVAALNDK
3Q3V Chain:A (9-399)----SIKDIDLAKKKVFIRCDFNVPQDDFLNITDDRRIRSAIPTIRYCLDNGCSVILASHLGRPK-EISSKYSLEPVAKRLARLLDKEIVMAKDVIGEDAKTKAMNLKAGEILLLENLRFEKGETKNDENLAKELASMVQVYINDAFGVCHRAHSSVEAITKFFDEKHKGAGFLLQKEIDFASNLIKHPARPFVAVVGGSKVSGKLQALTNLLPKVDKLIIGGGMAFTFLKALGYDIGNSLLEEELLEEANKILTKGKNLGVKIYLPVDVVAAPACSQDVPMKFVPAQEIPNGWMGLDIGPASVRLFKEVISDAQTIWWNGPMGVFEIDKFSKGSIKMSHYISEGHAT-SVVGGGDTADVVARAGDADEMTFISTGGGASLELIEGKELPGVKALRS-
Receptor file (based on 3Q3V) :3Q3V_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :3Q3V
Information :PDB TRANSFERASE 22-DEC-10 XXXX

Ligand:

Ligand pdb file :3Q3V_FMT_A_5.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :FMT_A_5
Ligand Type:non-polymer
Ligand Weight:46.026
Ligand Info:FORMIC ACID
Cofactor(s):
3Q3V/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 3Q3V_FMT_A_5_Into_3Q3V_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):0 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):0 [pKd]
Docking affinity (XScore Software):2.68 [pKd]
Docking affinity (DSX-Score Software):3.50 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):3.1 [pKd]

Useful files:

Alignment file with ligand : complex.pir