Study : A0BI55_PARTE (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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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: FAD_C_3(2DVL) / Model_7(2DVL/A) = [4.5] Download1078.0423.82MSISEVQHQLNLTSYLNQQATVSVFLGVKEIQIDQVQQLATHTYKLTFKNSNKKIILHTKSSNAQVTGNQLEKDYMIAQKLSAANMPVPKALFYCGDQSIVGVPFYATEYVEGRLFNDKKLLSVSQTEKKLLFQEVSKALAHLHSISLNYLGLGELESQTSQYQTLNKKLYNLYKLHETKISTNVEDLLYWLSLNSPVKSELDNLCLVHGDFSLSKVVFHPTEPKVLAILDWQQAQLGNAFIDLASFVSPYYIPYSNGQHQIDGWFGIEEIIAQPNLQEVLSAYFTTRSSETTQDINYQLVISLLKQSIDQQILYKQTKEEKYQDNSHFISKAGYELLLRTTEGDPFGIKLRANNDGQLWSNWPVSQRCKSYYYRIKDFMKDEIFPVEKAILDKARAVPRTVKNKPIVEIEELQRKAKAVGLWNLFISDPMYGKGLTNLEYVYLSELMGLSYLAHEVFNCFAPETGNIKLLIAYGTPHQKEKYLKPLLEGQCKSFFAMTEKDVPSSDPNNFQCTITPTEGGFILNGGKWFVSSAPDERAIFGIVMGKSSKDMSNPIESQSMILVDMNNPKIKIVRQYSVLGFFDVPHGYSEVEFDNAFIPQENLLGQLGGAFKMAQGRLLGGRLHHCVRQIGLTRRCLDLMMARSEKRIIFKQSLKDNAAFQERLGDLEIAFQSCRLLSLNAGLLLDSAGSRHLHTFMAVSECKAHIPKACQYIIDQCIQAFGAEGVTEEQPLTLAYRFARAIRFMDGPCEIHLRQISRFAYGNHLFNDLNNAQGYGLAKL
Complex: FAD_A_2(6AF6) / Model_19(6AF6/A) = [5.6] Download1085.5123.78MSISEVQHQLNLTSYLNQQATVSVFLGVKEIQIDQVQQLATHTYKLTFKNSNKKIILHTKSSNAQVTGNQLEKDYMIAQKLSAANMPVPKALFYCGDQSIVGVPFYATEYVEGRLFNDKKLLSVSQTEKKLLFQEVSKALAHLHSISLNYLGLGELESQTSQYQTLNKKLYNLYKLHETKISTNVEDLLYWLSLNSPVKSELDNLCLVHGDFSLSKVVFHPTEPKVLAILDWQQAQLGNAFIDLASFVSPYYIPYSNGQHQIDGWFGIEEIIAQPNLQEVLSAYFTTRSSETTQDINYQLVISLLKQSIDQQILYKQTKEEKYQDNSHFISKAGYELLLRTTEGDPFGIKLRANNDGQLWSNWPVSQRCKSYYYRIKDFMKDEIFPVEKAILDKARAVPRTVKNKPIVEIEELQRKAKAVGLWNLFISDPMYGKGLTNLEYVYLSELMGLSYLAHEVFNCFAPETGNIKLLIAYGTPHQKEKYLKPLLEGQCKSFFAMTEKDVPSSDPNNFQCTITPTEGGFILNGGKWFVSSAPDERAIFGIVMGKSSKDMSNPIESQSMILVDMNNPKIKIVRQYSVLGFFDVPHGYSEVEFDNAFIPQENLLGQLGGAFKMAQGRLLGGRLHHCVRQIGLTRRCLDLMMARSEKRIIFKQSLKDNAAFQERLGDLEIAFQSCRLLSLNAGLLLDSAGSRHLHTFMAVSECKAHIPKACQYIIDQCIQAFGAEGVTEEQPLTLAYRFARAIRFMDGPCEIHLRQISRFAYGNHLFNDLNNAQGYGLAKL
Complex: COS_A_4(4L1F) / Model_16(4L1F/A) = [5.7] Download1766.4116.26MSISEVQHQLNLTSYLNQQATVSVFLGVKEIQIDQVQQLATHTYKLTFKNSNKKIILHTKSSNAQVTGNQLEKDYMIAQKLSAANMPVPKALFYCGDQSIVGVPFYATEYVEGRLFNDKKLLSVSQTEKKLLFQEVSKALAHLHSISLNYLGLGELESQTSQYQTLNKKLYNLYKLHETKISTNVEDLLYWLSLNSPVKSELDNLCLVHGDFSLSKVVFHPTEPKVLAILDWQQAQLGNAFIDLASFVSPYYIPYSNGQHQIDGWFGIEEIIAQPNLQEVLSAYFTTRSSETTQDINYQLVISLLKQSIDQQILYKQTKEEKYQDNSHFISKAGYELLLRTTEGDPFGIKLRANNDGQLWSNWPVSQRCKSYYYRIKDFMKDEIFPVEKAILDKARAVPRTVKNKPIVEIEELQRKAKAVGLWNLFISDPMYGKGLTNLEYVYLSELMGLSYLAHEVFNCFAPETGNIKLLIAYGTPHQKEKYLKPLLEGQCKSFFAMTEKDVPSSDPNNFQCTITPTEGGFILNGGKWFVSSAPDERAIFGIVMGKSSKDMSNPIESQSMILVDMNNPKIKIVRQYSVLGFFDVPHGYSEVEFDNAFIPQENLLGQLGGAFKMAQGRLLGGRLHHCVRQIGLTRRCLDLMMARSEKRIIFKQSLKDNAAFQERLGDLEIAFQSCRLLSLNAGLLLDSAGSRHLHTFMAVSECKAHIPKACQYIIDQCIQAFGAEGVTEEQPLTLAYRFARAIRFMDGPCEIHLRQISRFAYGNHLFNDLNNAQGYGLAKL
Complex: FAD_B_7(2PG0) / Model_80(2PG0/B) = [6.2] Download882.2320.09MSISEVQHQLNLTSYLNQQATVSVFLGVKEIQIDQVQQLATHTYKLTFKNSNKKIILHTKSSNAQVTGNQLEKDYMIAQKLSAANMPVPKALFYCGDQSIVGVPFYATEYVEGRLFNDKKLLSVSQTEKKLLFQEVSKALAHLHSISLNYLGLGELESQTSQYQTLNKKLYNLYKLHETKISTNVEDLLYWLSLNSPVKSELDNLCLVHGDFSLSKVVFHPTEPKVLAILDWQQAQLGNAFIDLASFVSPYYIPYSNGQHQIDGWFGIEEIIAQPNLQEVLSAYFTTRSSETTQDINYQLVISLLKQSIDQQILYKQTKEEKYQDNSHFISKAGYELLLRTTEGDPFGIKLRANNDGQLWSNWPVSQRCKSYYYRIKDFMKDEIFPVEKAILDKARAVPRTVKNKPIVEIEELQRKAKAVGLWNLFISDPMYGKGLTNLEYVYLSELMGLSYLAHEVFNCFAPETGNIKLLIAYGTPHQKEKYLKPLLEGQCKSFFAMTEKDVPSSDPNNFQCTITPTEGGFILNGGKWFVSSAPDERAIFGIVMGKSSKDMSNPIESQSMILVDMNNPKIKIVRQYSVLGFFDVPHGYSEVEFDNAFIPQENLLGQLGGAFKMAQGRLLGGRLHHCVRQIGLTRRCLDLMMARSEKRIIFKQSLKDNAAFQERLGDLEIAFQSCRLLSLNAGLLLDSAGSRHLHTFMAVSECKAHIPKACQYIIDQCIQAFGAEGVTEEQPLTLAYRFARAIRFMDGPCEIHLRQISRFAYGNHLFNDLNNAQGYGLAKL
Complex: FAD_A_5(2PG0) / Model_79(2PG0/A) = [6.2] Download997.6121.86MSISEVQHQLNLTSYLNQQATVSVFLGVKEIQIDQVQQLATHTYKLTFKNSNKKIILHTKSSNAQVTGNQLEKDYMIAQKLSAANMPVPKALFYCGDQSIVGVPFYATEYVEGRLFNDKKLLSVSQTEKKLLFQEVSKALAHLHSISLNYLGLGELESQTSQYQTLNKKLYNLYKLHETKISTNVEDLLYWLSLNSPVKSELDNLCLVHGDFSLSKVVFHPTEPKVLAILDWQQAQLGNAFIDLASFVSPYYIPYSNGQHQIDGWFGIEEIIAQPNLQEVLSAYFTTRSSETTQDINYQLVISLLKQSIDQQILYKQTKEEKYQDNSHFISKAGYELLLRTTEGDPFGIKLRANNDGQLWSNWPVSQRCKSYYYRIKDFMKDEIFPVEKAILDKARAVPRTVKNKPIVEIEELQRKAKAVGLWNLFISDPMYGKGLTNLEYVYLSELMGLSYLAHEVFNCFAPETGNIKLLIAYGTPHQKEKYLKPLLEGQCKSFFAMTEKDVPSSDPNNFQCTITPTEGGFILNGGKWFVSSAPDERAIFGIVMGKSSKDMSNPIESQSMILVDMNNPKIKIVRQYSVLGFFDVPHGYSEVEFDNAFIPQENLLGQLGGAFKMAQGRLLGGRLHHCVRQIGLTRRCLDLMMARSEKRIIFKQSLKDNAAFQERLGDLEIAFQSCRLLSLNAGLLLDSAGSRHLHTFMAVSECKAHIPKACQYIIDQCIQAFGAEGVTEEQPLTLAYRFARAIRFMDGPCEIHLRQISRFAYGNHLFNDLNNAQGYGLAKL
Consensus
[pKd Mean = 5.64]
-1161
(s=310)
21
(s=2)
MSISEVQHQLNLTSYLNQQATVSVFLGVKEIQIDQVQQLATHTYKLTFKNSNKKIILHTKSSNAQVTGNQLEKDYMIAQKLSAANMPVPKALFYCGDQSIVGVPFYATEYVEGRLFNDKKLLSVSQTEKKLLFQEVSKALAHLHSISLNYLGLGELESQTSQYQTLNKKLYNLYKLHETKISTNVEDLLYWLSLNSPVKSELDNLCLVHGDFSLSKVVFHPTEPKVLAILDWQQAQLGNAFIDLASFVSPYYIPYSNGQHQIDGWFGIEEIIAQPNLQEVLSAYFTTRSSETTQDINYQLVISLLKQSIDQQILYKQTKEEKYQDNSHFISKAGYELLLRTTEGDPFGIKLRANNDGQLWSNWPVSQRCKSYYYRIKDFMKDEIFPVEKAILDKARAVPRTVKNKPIVEIEELQRKAKAVGLWNLFISDPMYGKGLTNLEYVYLSELMGLSYLAHEVFNCFAPETGNIKLLIAYGTPHQKEKYLKPLLEGQCKSFFAMTEKDVPSSDPNNFQCTITPTEGGFILNGGKWFVSSAPDERAIFGIVMGKSSKDMSNPIESQSMILVDMNNPKIKIVRQYSVLGFFDVPHGYSEVEFDNAFIPQENLLGQLGGAFKMAQGRLLGGRLHHCVRQIGLTRRCLDLMMARSEKRIIFKQSLKDNAAFQERLGDLEIAFQSCRLLSLNAGLLLDSAGSRHLHTFMAVSECKAHIPKACQYIIDQCIQAFGAEGVTEEQPLTLAYRFARAIRFMDGPCEIHLRQISRFAYGNHLFNDLNNAQGYGLAKL