Study : T0692 (models@predictioncenter.org)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [Kd < -3] : 5 (5 maxi)

Complexes [Theoretical Kd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: NAD_A_4(3B4W) / Model_45(1BXS/A) = [-7.7] Download--MTKTIEVRNPRTGKFDYVIIPPPPRLLAQQCNRARRAQSRWQELGVEGRITTLQQWKQAILSRREQLTEALVNDTGRLSITVLEIDSFLASIDRWCGLAPELLQTSAKNTSIPFIALQQSLVPYPLVGVISPWNFPLTLSMIDTIPALLAGCAVVVKPSEIAPRFVAPLLMALNTVPELRDVLIFVEGGGETGANLINYVDFVCFTGSVATGREVAETAARRFIPAYLELGGKDPAIVLESANLELATSAILWGAVVNTGQSCLSIERIYVAESKFEEFYHQLIAKAHRLQLAYPLVEDGAIGPIIAEKQAGIINDHILDAVEKGAVIHCGGKVEELGGGWWCRPTVMTNVNHSMKVMTEETFGPIMPVMPFPDVEEAVYLANDTIYGLSAAVFAGSEDEALKVARQLNAGAISINDAALTAMMHEGEKNAFNFSGLGGSRVGAAGLKRFLRKQAFLIKTNSTSDPWWFDKGD
Complex: NAD_A_4(3B4W) / Model_39(1A4S/A) = [-7.5] Download--MTKTIEVRNPRTGKFDYVIIPPPPRLLAQQCNRARRAQSRWQELGVEGRITTLQQWKQAILSRREQLTEALVNDTGRLSITVLEIDSFLASIDRWCGLAPELLQTSAKNTSIPFIALQQSLVPYPLVGVISPWNFPLTLSMIDTIPALLAGCAVVVKPSEIAPRFVAPLLMALNTVPELRDVLIFVEGGGETGANLINYVDFVCFTGSVATGREVAETAARRFIPAYLELGGKDPAIVLESANLELATSAILWGAVVNTGQSCLSIERIYVAESKFEEFYHQLIAKAHRLQLAYPLVEDGAIGPIIAEKQAGIINDHILDAVEKGAVIHCGGKVEELGGGWWCRPTVMTNVNHSMKVMTEETFGPIMPVMPFPDVEEAVYLANDTIYGLSAAVFAGSEDEALKVARQLNAGAISINDAALTAMMHEGEKNAFNFSGLGGSRVGAAGLKRFLRKQAFLIKTNSTSDPWWFDKGD
Complex: NAD_A_13(1UXT) / Model_45(1BXS/A) = [-6.4] Download--MTKTIEVRNPRTGKFDYVIIPPPPRLLAQQCNRARRAQSRWQELGVEGRITTLQQWKQAILSRREQLTEALVNDTGRLSITVLEIDSFLASIDRWCGLAPELLQTSAKNTSIPFIALQQSLVPYPLVGVISPWNFPLTLSMIDTIPALLAGCAVVVKPSEIAPRFVAPLLMALNTVPELRDVLIFVEGGGETGANLINYVDFVCFTGSVATGREVAETAARRFIPAYLELGGKDPAIVLESANLELATSAILWGAVVNTGQSCLSIERIYVAESKFEEFYHQLIAKAHRLQLAYPLVEDGAIGPIIAEKQAGIINDHILDAVEKGAVIHCGGKVEELGGGWWCRPTVMTNVNHSMKVMTEETFGPIMPVMPFPDVEEAVYLANDTIYGLSAAVFAGSEDEALKVARQLNAGAISINDAALTAMMHEGEKNAFNFSGLGGSRVGAAGLKRFLRKQAFLIKTNSTSDPWWFDKGD
Complex: NAP_I_9(1KY8) / Model_39(1A4S/A) = [-6.4] Download--MTKTIEVRNPRTGKFDYVIIPPPPRLLAQQCNRARRAQSRWQELGVEGRITTLQQWKQAILSRREQLTEALVNDTGRLSITVLEIDSFLASIDRWCGLAPELLQTSAKNTSIPFIALQQSLVPYPLVGVISPWNFPLTLSMIDTIPALLAGCAVVVKPSEIAPRFVAPLLMALNTVPELRDVLIFVEGGGETGANLINYVDFVCFTGSVATGREVAETAARRFIPAYLELGGKDPAIVLESANLELATSAILWGAVVNTGQSCLSIERIYVAESKFEEFYHQLIAKAHRLQLAYPLVEDGAIGPIIAEKQAGIINDHILDAVEKGAVIHCGGKVEELGGGWWCRPTVMTNVNHSMKVMTEETFGPIMPVMPFPDVEEAVYLANDTIYGLSAAVFAGSEDEALKVARQLNAGAISINDAALTAMMHEGEKNAFNFSGLGGSRVGAAGLKRFLRKQAFLIKTNSTSDPWWFDKGD
Complex: NAD_A_13(1UXT) / Model_39(1A4S/A) = [-6.2] Download--MTKTIEVRNPRTGKFDYVIIPPPPRLLAQQCNRARRAQSRWQELGVEGRITTLQQWKQAILSRREQLTEALVNDTGRLSITVLEIDSFLASIDRWCGLAPELLQTSAKNTSIPFIALQQSLVPYPLVGVISPWNFPLTLSMIDTIPALLAGCAVVVKPSEIAPRFVAPLLMALNTVPELRDVLIFVEGGGETGANLINYVDFVCFTGSVATGREVAETAARRFIPAYLELGGKDPAIVLESANLELATSAILWGAVVNTGQSCLSIERIYVAESKFEEFYHQLIAKAHRLQLAYPLVEDGAIGPIIAEKQAGIINDHILDAVEKGAVIHCGGKVEELGGGWWCRPTVMTNVNHSMKVMTEETFGPIMPVMPFPDVEEAVYLANDTIYGLSAAVFAGSEDEALKVARQLNAGAISINDAALTAMMHEGEKNAFNFSGLGGSRVGAAGLKRFLRKQAFLIKTNSTSDPWWFDKGD
Consensus
[Kd Mean = -6.84]		-0
(s=0)		0
(s=0)		MTKTIEVRNPRTGKFDYVIIPPPPRLLAQQCNRARRAQSRWQELGVEGRITTLQQWKQAILSRREQLTEALVNDTGRLSITVLEIDSFLASIDRWCGLAPELLQTSAKNTSIPFIALQQSLVPYPLVGVISPWNFPLTLSMIDTIPALLAGCAVVVKPSEIAPRFVAPLLMALNTVPELRDVLIFVEGGGETGANLINYVDFVCFTGSVATGREVAETAARRFIPAYLELGGKDPAIVLESANLELATSAILWGAVVNTGQSCLSIERIYVAESKFEEFYHQLIAKAHRLQLAYPLVEDGAIGPIIAEKQAGIINDHILDAVEKGAVIHCGGKVEELGGGWWCRPTVMTNVNHSMKVMTEETFGPIMPVMPFPDVEEAVYLANDTIYGLSAAVFAGSEDEALKVARQLNAGAISINDAALTAMMHEGEKNAFNFSGLGGSRVGAAGLKRFLRKQAFLIKTNSTSDPWWFDKGD