Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMPQSIIEGAFALAKKVNNEYNDSSIQVLEGLEAVRKRPGMYIGSTDSRGLHHLVYEIVDNAVDEALSGYGSEIDVTIHEDNSITVADSGRGMPVGMHAS-GIPTVEVIFTVLHAGGKFGQGGYKTSGGLHGVGASVVNALSKWLIVTIVRDGVEYQQKFKNGGKPDGTLKKIGKTKKAN-GTTVHFLPDDTIFSTTKFSYEILAERLRESAFLLKGVKISLSDLRGEEPVKEIFHYEEGIKEFVDYLNEEKDTLT-----PVV-YFSGEKEGIEVEVAYQYNDGYSENVLSFVNNVRTKDGGTHEAGMKAAMTKSYNEYARKVGLLKERDKNLEGSDFREGLAAVLSIRVPENLLQFEGQTKEKLGTPVARTVVDNVISEQMGFYLQENSEMSQMLVRKAIKAREAREAARKAREESRNGKKRKKGESLLSGKLTPAQSRNPKKNELYLVEGDSAGGSAKQGRDRKFQAILPLRGKVINTEKAKMQDILKNEEINTMIYTIGAGVGPEFSIEDCNYDKVIIMTDADTDGAHIQVLLLTFFYRYMKPLIEAGKVYIALPPLYKVSKGQGKKQVIEYAWTDDELAAMIKKVGKGYMLQRYKGLGEMNAEQLWETTMDPTSRTLIRVRIDDAAQAERRVTTLMGDKVEPRRKWIENHVQFTLEEDGSILDKKEDTEISPSVSNDLLDEERADKNENNQLFEVE
1S16 Chain:A (5-383)-------------------YNADAIEVLTGLEPVRRRPGMY---TDTTRPNHLGQEVIDNSVDEALAGHAKRVDVILHADQSLEVIDDGRGMPVDIHPEEGVPAVELILCRLHAGGKFSNKNYQFSGGLHGVGISVVNALSKRVEVNVRRDGQVYNIAFENGEKVQ-DLQVVGTCGKRNTGTSVHFWPDETFFDSPRFSVSRLTHVLKAKAVLCPGVEITFKDEINN--TEQRWCYQDGLN---DYLAEAVNGLPTLPEKPFIGNFAGDTEAVDWALLW-LPEGGELLTESYVNLIPTMQGGTHVNGLRQGLLDAMREFCEYRNILP-RGVKLSAEDIWDRCAYVLSVKMQDP--QFAGQTKERLSSRQCAAFVSGVVKDAFILWLNQNVQAAELLAEMAISSAQRRMRAA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Receptor file (based on 1S16) :1S16_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1S16
Information :PDB ISOMERASE 05-JAN-04 XXXX

Ligand:

Ligand pdb file :1S16_ANP_A_7.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ANP_A_7
Ligand Type:non-polymer
Ligand Weight:506.199
Ligand Info:PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Cofactor(s):
1S16/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1S16_ANP_A_7_Into_1S16_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):6.52 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):12.48 [pKd]
Docking affinity (XScore Software):12.31 [pKd]
Docking affinity (DSX-Score Software):7.65 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):9.7 [pKd]

Useful files:

Alignment file with ligand : complex.pir