Study : SA1229 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: SCO_G_7(1KGQ) / Model_7(1KGQ/A) = [3.6] Download1186.1822.64MVQHLTAEEIIQYISDAKKSTPIKVYLNGNFEGITYPESFKVFGSEQSKVIFCEADDWKPFYEAYGSQFEDIEIEMDRRNSAIPLKDLTNTNARIEPGAFIREQAIIEDGAVVMMGATINIGAVVGEGTMIDMNATLGGRATTGKNVHVGAGAVLAGVIEPPSASPVIIEDDVLIGANAVILEGVRVGKGAIVAAGAIVTQDVPAGAVVAGTPAKVIKQASEVQDTKKEIVAALRKLND
Complex: SCA_G_7(1KGT) / Model_8(1KGT/A) = [3.8] Download1332.8817.75MVQHLTAEEIIQYISDAKKSTPIKVYLNGNFEGITYPESFKVFGSEQSKVIFCEADDWKPFYEAYGSQFEDIEIEMDRRNSAIPLKDLTNTNARIEPGAFIREQAIIEDGAVVMMGATINIGAVVGEGTMIDMNATLGGRATTGKNVHVGAGAVLAGVIEPPSASPVIIEDDVLIGANAVILEGVRVGKGAIVAAGAIVTQDVPAGAVVAGTPAKVIKQASEVQDTKKEIVAALRKLND
Complex: COA_D_4(2TDT) / Model_9(2TDT/A) = [4.3] Download960.4220.25MVQHLTAEEIIQYISDAKKSTPIKVYLNGNFEGITYPESFKVFGSEQSKVIFCEADDWKPFYEAYGSQFEDIEIEMDRRNSAIPLKDLTNTNARIEPGAFIREQAIIEDGAVVMMGATINIGAVVGEGTMIDMNATLGGRATTGKNVHVGAGAVLAGVIEPPSASPVIIEDDVLIGANAVILEGVRVGKGAIVAAGAIVTQDVPAGAVVAGTPAKVIKQASEVQDTKKEIVAALRKLND
Complex: COA_D_4(3TDT) / Model_10(3TDT/A) = [4.5] Download877.4420.25MVQHLTAEEIIQYISDAKKSTPIKVYLNGNFEGITYPESFKVFGSEQSKVIFCEADDWKPFYEAYGSQFEDIEIEMDRRNSAIPLKDLTNTNARIEPGAFIREQAIIEDGAVVMMGATINIGAVVGEGTMIDMNATLGGRATTGKNVHVGAGAVLAGVIEPPSASPVIIEDDVLIGANAVILEGVRVGKGAIVAAGAIVTQDVPAGAVVAGTPAKVIKQASEVQDTKKEIVAALRKLND
Consensus
[pKd Mean = 4.05]
-1089
(s=180)
20
(s=1)
MVQHLTAEEIIQYISDAKKSTPIKVYLNGNFEGITYPESFKVFGSEQSKVIFCEADDWKPFYEAYGSQFEDIEIEMDRRNSAIPLKDLTNTNARIEPGAFIREQAIIEDGAVVMMGATINIGAVVGEGTMIDMNATLGGRATTGKNVHVGAGAVLAGVIEPPSASPVIIEDDVLIGANAVILEGVRVGKGAIVAAGAIVTQDVPAGAVVAGTPAKVIKQASEVQDTKKEIVAALRKLND