Study : bsu32980 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: CBO_D_8(1HDC) / Model_84(1HDC/D) = [4.0] Download1333.5828.58MNKKIAIVTGASSGFGLLAAVKLARSFFVIATSRQPEKAEQLRELAAAHNVSDSIHITALDVTDEQSIVSFGKAVSAYAPIDLLVNNAGTAYGGFIEDVPMEHFRQQFETNVFGVIHVTKTVLPYIRKHGGAKIINVSSISGLTGFPALSPYVSSKHALEGFSESLRIELLPFGIETALIEPGSYKTSIWSTSLSNFMSVPADDSAYHQYYKKILSYVQKNGEESGDPQEVADLIYQLATKQHIKNLRYPIGKGIKLTLLFRSLFPWSAWESILKKKLFS
Complex: NAP_A_3(1QYW) / Model_11(1QYW/A) = [5.3] Download1206.0424.11MNKKIAIVTGASSGFGLLAAVKLARSFFVIATSRQPEKAEQLRELAAAHNVSDSIHITALDVTDEQSIVSFGKAVSAYAPIDLLVNNAGTAYGGFIEDVPMEHFRQQFETNVFGVIHVTKTVLPYIRKHGGAKIINVSSISGLTGFPALSPYVSSKHALEGFSESLRIELLPFGIETALIEPGSYKTSIWSTSLSNFMSVPADDSAYHQYYKKILSYVQKNGEESGDPQEVADLIYQLATKQHIKNLRYPIGKGIKLTLLFRSLFPWSAWESILKKKLFS
Complex: NAP_B_6(4QED) / Model_43(4QED/B) = [11.2] Download1900.8123.35MNKKIAIVTGASSGFGLLAAVKLARSFFVIATSRQPEKAEQLRELAAAHNVSDSIHITALDVTDEQSIVSFGKAVSAYAPIDLLVNNAGTAYGGFIEDVPMEHFRQQFETNVFGVIHVTKTVLPYIRKHGGAKIINVSSISGLTGFPALSPYVSSKHALEGFSESLRIELLPFGIETALIEPGSYKTSIWSTSLSNFMSVPADDSAYHQYYKKILSYVQKNGEESGDPQEVADLIYQLATKQHIKNLRYPIGKGIKLTLLFRSLFPWSAWESILKKKLFS
Complex: NAP_A_5(3RKU) / Model_40(3RKU/A) = [11.3] Download1672.5124.41MNKKIAIVTGASSGFGLLAAVKLARSFFVIATSRQPEKAEQLRELAAAHNVSDSIHITALDVTDEQSIVSFGKAVSAYAPIDLLVNNAGTAYGGFIEDVPMEHFRQQFETNVFGVIHVTKTVLPYIRKHGGAKIINVSSISGLTGFPALSPYVSSKHALEGFSESLRIELLPFGIETALIEPGSYKTSIWSTSLSNFMSVPADDSAYHQYYKKILSYVQKNGEESGDPQEVADLIYQLATKQHIKNLRYPIGKGIKLTLLFRSLFPWSAWESILKKKLFS
Complex: NAP_C_7(3RKU) / Model_38(3RKU/C) = [11.4] Download1246.8524.41MNKKIAIVTGASSGFGLLAAVKLARSFFVIATSRQPEKAEQLRELAAAHNVSDSIHITALDVTDEQSIVSFGKAVSAYAPIDLLVNNAGTAYGGFIEDVPMEHFRQQFETNVFGVIHVTKTVLPYIRKHGGAKIINVSSISGLTGFPALSPYVSSKHALEGFSESLRIELLPFGIETALIEPGSYKTSIWSTSLSNFMSVPADDSAYHQYYKKILSYVQKNGEESGDPQEVADLIYQLATKQHIKNLRYPIGKGIKLTLLFRSLFPWSAWESILKKKLFS
Consensus
[pKd Mean = 8.64]
-1471
(s=270)
24
(s=2)
MNKKIAIVTGASSGFGLLAAVKLARSFFVIATSRQPEKAEQLRELAAAHNVSDSIHITALDVTDEQSIVSFGKAVSAYAPIDLLVNNAGTAYGGFIEDVPMEHFRQQFETNVFGVIHVTKTVLPYIRKHGGAKIINVSSISGLTGFPALSPYVSSKHALEGFSESLRIELLPFGIETALIEPGSYKTSIWSTSLSNFMSVPADDSAYHQYYKKILSYVQKNGEESGDPQEVADLIYQLATKQHIKNLRYPIGKGIKLTLLFRSLFPWSAWESILKKKLFS