Study : Rv1317c (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: NACID_E_5(3CVT) / Model_8(3CVT/A) = [3.4] Download--MHDDFERCYRAIQSKDARFDGWFVVAVLTTGVYCRPSCPVRPPFARNVRFLPTAAAAQGEGFRACKRCRPDASPGSPEWNVRSDVVARAMRLIADGTVDRDGVSGLAAQLGYTIRQLERLLQAVVGAGPLALARAQRMQTARVLIETTNLPFGDVAFAAGFSSIRQFNDTVRLACDGTPTALRARAAARFESATASAGTVSLRLPVRAPFAFEGVFGHLAATAVPGCEEVRDGAYRRTLRLPWGNGIVSLTPAPDHVRCLLVLDDFRDLMTATARCRRLLDLDADPEAIVEALGADPDLRAVVGKAPGQRIPRTVDEAEFAVRAVLAQQVSTKAASTHAGRLVAAYGRPVHDRHGALTHTFPSIEQLAEIDPGHLAVPKARQRTINALVASLADKSLVLDAGCDWQRARGQLLALPGVGPWTAEVIAMRGLGDPDAFPASDLGLRLAAKKLGLPAQRRALTVHSARWRPWRSYATQHLWTTLEHPVNQWPPQEKIA
Complex: NACID_H_8(3CWU) / Model_25(3CWU/C) = [3.5] Download--MHDDFERCYRAIQSKDARFDGWFVVAVLTTGVYCRPSCPVRPPFARNVRFLPTAAAAQGEGFRACKRCRPDASPGSPEWNVRSDVVARAMRLIADGTVDRDGVSGLAAQLGYTIRQLERLLQAVVGAGPLALARAQRMQTARVLIETTNLPFGDVAFAAGFSSIRQFNDTVRLACDGTPTALRARAAARFESATASAGTVSLRLPVRAPFAFEGVFGHLAATAVPGCEEVRDGAYRRTLRLPWGNGIVSLTPAPDHVRCLLVLDDFRDLMTATARCRRLLDLDADPEAIVEALGADPDLRAVVGKAPGQRIPRTVDEAEFAVRAVLAQQVSTKAASTHAGRLVAAYGRPVHDRHGALTHTFPSIEQLAEIDPGHLAVPKARQRTINALVASLADKSLVLDAGCDWQRARGQLLALPGVGPWTAEVIAMRGLGDPDAFPASDLGLRLAAKKLGLPAQRRALTVHSARWRPWRSYATQHLWTTLEHPVNQWPPQEKIA
Complex: NACID_E_5(3CWS) / Model_11(3CWS/A) = [3.7] Download--MHDDFERCYRAIQSKDARFDGWFVVAVLTTGVYCRPSCPVRPPFARNVRFLPTAAAAQGEGFRACKRCRPDASPGSPEWNVRSDVVARAMRLIADGTVDRDGVSGLAAQLGYTIRQLERLLQAVVGAGPLALARAQRMQTARVLIETTNLPFGDVAFAAGFSSIRQFNDTVRLACDGTPTALRARAAARFESATASAGTVSLRLPVRAPFAFEGVFGHLAATAVPGCEEVRDGAYRRTLRLPWGNGIVSLTPAPDHVRCLLVLDDFRDLMTATARCRRLLDLDADPEAIVEALGADPDLRAVVGKAPGQRIPRTVDEAEFAVRAVLAQQVSTKAASTHAGRLVAAYGRPVHDRHGALTHTFPSIEQLAEIDPGHLAVPKARQRTINALVASLADKSLVLDAGCDWQRARGQLLALPGVGPWTAEVIAMRGLGDPDAFPASDLGLRLAAKKLGLPAQRRALTVHSARWRPWRSYATQHLWTTLEHPVNQWPPQEKIA
Complex: NACID_E_5(3CW7) / Model_9(3CW7/A) = [3.7] Download--MHDDFERCYRAIQSKDARFDGWFVVAVLTTGVYCRPSCPVRPPFARNVRFLPTAAAAQGEGFRACKRCRPDASPGSPEWNVRSDVVARAMRLIADGTVDRDGVSGLAAQLGYTIRQLERLLQAVVGAGPLALARAQRMQTARVLIETTNLPFGDVAFAAGFSSIRQFNDTVRLACDGTPTALRARAAARFESATASAGTVSLRLPVRAPFAFEGVFGHLAATAVPGCEEVRDGAYRRTLRLPWGNGIVSLTPAPDHVRCLLVLDDFRDLMTATARCRRLLDLDADPEAIVEALGADPDLRAVVGKAPGQRIPRTVDEAEFAVRAVLAQQVSTKAASTHAGRLVAAYGRPVHDRHGALTHTFPSIEQLAEIDPGHLAVPKARQRTINALVASLADKSLVLDAGCDWQRARGQLLALPGVGPWTAEVIAMRGLGDPDAFPASDLGLRLAAKKLGLPAQRRALTVHSARWRPWRSYATQHLWTTLEHPVNQWPPQEKIA
Complex: NACID_C_3(3OH9) / Model_3(3OH9/A) = [3.7] Download--MHDDFERCYRAIQSKDARFDGWFVVAVLTTGVYCRPSCPVRPPFARNVRFLPTAAAAQGEGFRACKRCRPDASPGSPEWNVRSDVVARAMRLIADGTVDRDGVSGLAAQLGYTIRQLERLLQAVVGAGPLALARAQRMQTARVLIETTNLPFGDVAFAAGFSSIRQFNDTVRLACDGTPTALRARAAARFESATASAGTVSLRLPVRAPFAFEGVFGHLAATAVPGCEEVRDGAYRRTLRLPWGNGIVSLTPAPDHVRCLLVLDDFRDLMTATARCRRLLDLDADPEAIVEALGADPDLRAVVGKAPGQRIPRTVDEAEFAVRAVLAQQVSTKAASTHAGRLVAAYGRPVHDRHGALTHTFPSIEQLAEIDPGHLAVPKARQRTINALVASLADKSLVLDAGCDWQRARGQLLALPGVGPWTAEVIAMRGLGDPDAFPASDLGLRLAAKKLGLPAQRRALTVHSARWRPWRSYATQHLWTTLEHPVNQWPPQEKIA
Consensus
[pKd Mean = 3.60]		-0
(s=0)		0
(s=0)		MHDDFERCYRAIQSKDARFDGWFVVAVLTTGVYCRPSCPVRPPFARNVRFLPTAAAAQGEGFRACKRCRPDASPGSPEWNVRSDVVARAMRLIADGTVDRDGVSGLAAQLGYTIRQLERLLQAVVGAGPLALARAQRMQTARVLIETTNLPFGDVAFAAGFSSIRQFNDTVRLACDGTPTALRARAAARFESATASAGTVSLRLPVRAPFAFEGVFGHLAATAVPGCEEVRDGAYRRTLRLPWGNGIVSLTPAPDHVRCLLVLDDFRDLMTATARCRRLLDLDADPEAIVEALGADPDLRAVVGKAPGQRIPRTVDEAEFAVRAVLAQQVSTKAASTHAGRLVAAYGRPVHDRHGALTHTFPSIEQLAEIDPGHLAVPKARQRTINALVASLADKSLVLDAGCDWQRARGQLLALPGVGPWTAEVIAMRGLGDPDAFPASDLGLRLAAKKLGLPAQRRALTVHSARWRPWRSYATQHLWTTLEHPVNQWPPQEKIA