Study : SA1199 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: SAL_A_8(2FN1) / Model_9(2FN1/A) = [3.4] Download323.2711.70MDIFYKKIKANVTPEVLAQLHSKKIILESTNQQQTKGRYSVVIFDIYGTLTLDNDVLSVSTLKESYQIIERPYHYLTTKINEDYHNIQDEQLKSLPFISGYVGTCSFDLVRHEFPKLQSIQLEDHKQHDVRLYMVEQVYVFDHYKDELYIIATNQFSNSTKSDLENRVNKSIEDLTKIQPFMPTQDFDFKTKEIQSNISEERFIEMIQYFKEKITEGDMFQVVPSRIYKYAHHASQHLNQLSFQLYQNLKRQNPSPYMYYLNIDQPYIVGSSPESFVSVKDQIVTTNPIAGTIQRGETTQIDNENMKQLLNDPKECSEHRMLVDLGRNDIHRVSKIGTSKITKLMVIEKYEHVMHIVSEITGKINQNLSPMTVIANLLPTGTVSGAPKLRAIERIYEQYPHKRGVYSGGVGYINCNHNLDFALAIRTMMIDEQYINVEAGCGVVYDSIPEKELNETKLKAKSLLEVRP
Complex: 0GA_A_5(5CWA) / Model_1(5CWA/A) = [3.5] Download851.2222.71MDIFYKKIKANVTPEVLAQLHSKKIILESTNQQQTKGRYSVVIFDIYGTLTLDNDVLSVSTLKESYQIIERPYHYLTTKINEDYHNIQDEQLKSLPFISGYVGTCSFDLVRHEFPKLQSIQLEDHKQHDVRLYMVEQVYVFDHYKDELYIIATNQFSNSTKSDLENRVNKSIEDLTKIQPFMPTQDFDFKTKEIQSNISEERFIEMIQYFKEKITEGDMFQVVPSRIYKYAHHASQHLNQLSFQLYQNLKRQNPSPYMYYLNIDQPYIVGSSPESFVSVKDQIVTTNPIAGTIQRGETTQIDNENMKQLLNDPKECSEHRMLVDLGRNDIHRVSKIGTSKITKLMVIEKYEHVMHIVSEITGKINQNLSPMTVIANLLPTGTVSGAPKLRAIERIYEQYPHKRGVYSGGVGYINCNHNLDFALAIRTMMIDEQYINVEAGCGVVYDSIPEKELNETKLKAKSLLEVRP
Complex: PYR_A_7(2FN1) / Model_9(2FN1/A) = [3.9] Download373.349.60MDIFYKKIKANVTPEVLAQLHSKKIILESTNQQQTKGRYSVVIFDIYGTLTLDNDVLSVSTLKESYQIIERPYHYLTTKINEDYHNIQDEQLKSLPFISGYVGTCSFDLVRHEFPKLQSIQLEDHKQHDVRLYMVEQVYVFDHYKDELYIIATNQFSNSTKSDLENRVNKSIEDLTKIQPFMPTQDFDFKTKEIQSNISEERFIEMIQYFKEKITEGDMFQVVPSRIYKYAHHASQHLNQLSFQLYQNLKRQNPSPYMYYLNIDQPYIVGSSPESFVSVKDQIVTTNPIAGTIQRGETTQIDNENMKQLLNDPKECSEHRMLVDLGRNDIHRVSKIGTSKITKLMVIEKYEHVMHIVSEITGKINQNLSPMTVIANLLPTGTVSGAPKLRAIERIYEQYPHKRGVYSGGVGYINCNHNLDFALAIRTMMIDEQYINVEAGCGVVYDSIPEKELNETKLKAKSLLEVRP
Consensus
[pKd Mean = 3.60]
-515
(s=237)
14
(s=5)
MDIFYKKIKANVTPEVLAQLHSKKIILESTNQQQTKGRYSVVIFDIYGTLTLDNDVLSVSTLKESYQIIERPYHYLTTKINEDYHNIQDEQLKSLPFISGYVGTCSFDLVRHEFPKLQSIQLEDHKQHDVRLYMVEQVYVFDHYKDELYIIATNQFSNSTKSDLENRVNKSIEDLTKIQPFMPTQDFDFKTKEIQSNISEERFIEMIQYFKEKITEGDMFQVVPSRIYKYAHHASQHLNQLSFQLYQNLKRQNPSPYMYYLNIDQPYIVGSSPESFVSVKDQIVTTNPIAGTIQRGETTQIDNENMKQLLNDPKECSEHRMLVDLGRNDIHRVSKIGTSKITKLMVIEKYEHVMHIVSEITGKINQNLSPMTVIANLLPTGTVSGAPKLRAIERIYEQYPHKRGVYSGGVGYINCNHNLDFALAIRTMMIDEQYINVEAGCGVVYDSIPEKELNETKLKAKSLLEVRP