Study : Rv3313c (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: PRH_A_3(1KRM) / Model_15(1KRM/A) = [4.2] Download456.9618.50MTAAPTLQTIRLAPKALLHDHLDGGLRPATVLDIAGQVGYDDLPATDVDALASWFRTQSHSGSLERYLEPFSHTVAVMQTPEALYRVAFECAQDLAADSVVYAEVRFAPELHISCGLSFDDVVDTVLTGFAAGEKACAADGQPITVRCLVTAMRHAAMSREIAELAIRFRDKGVVGFDIAGAEAGHPPTRHLDAFEYMRDHNARFTIHAGEAFGLPSIHEAIAFCGADRLGHGVRIVDDIDVDADGGFQLGRLAAILRDKRIPLELCPSSNVQTGAVASIAEHPFDLLARARFRVTVNTDNRLMSDTSMSLEMHRLVEAFGYGWSDLARFTVNAMKSAFIPFDQRLAIIDEVIKPRFAALMGHSE
Complex: FR2_A_3(1NDW) / Model_2(1NDW/A) = [5.5] Download778.2319.00MTAAPTLQTIRLAPKALLHDHLDGGLRPATVLDIAGQVGYDDLPATDVDALASWFRTQSHSGSLERYLEPFSHTVAVMQTPEALYRVAFECAQDLAADSVVYAEVRFAPELHISCGLSFDDVVDTVLTGFAAGEKACAADGQPITVRCLVTAMRHAAMSREIAELAIRFRDKGVVGFDIAGAEAGHPPTRHLDAFEYMRDHNARFTIHAGEAFGLPSIHEAIAFCGADRLGHGVRIVDDIDVDADGGFQLGRLAAILRDKRIPLELCPSSNVQTGAVASIAEHPFDLLARARFRVTVNTDNRLMSDTSMSLEMHRLVEAFGYGWSDLARFTVNAMKSAFIPFDQRLAIIDEVIKPRFAALMGHSE
Complex: 3D1_A_2(3IAR) / Model_21(3IAR/A) = [5.9] Download443.1522.90MTAAPTLQTIRLAPKALLHDHLDGGLRPATVLDIAGQVGYDDLPATDVDALASWFRTQSHSGSLERYLEPFSHTVAVMQTPEALYRVAFECAQDLAADSVVYAEVRFAPELHISCGLSFDDVVDTVLTGFAAGEKACAADGQPITVRCLVTAMRHAAMSREIAELAIRFRDKGVVGFDIAGAEAGHPPTRHLDAFEYMRDHNARFTIHAGEAFGLPSIHEAIAFCGADRLGHGVRIVDDIDVDADGGFQLGRLAAILRDKRIPLELCPSSNVQTGAVASIAEHPFDLLARARFRVTVNTDNRLMSDTSMSLEMHRLVEAFGYGWSDLARFTVNAMKSAFIPFDQRLAIIDEVIKPRFAALMGHSE
Complex: FR3_A_3(1NDY) / Model_3(1NDY/A) = [6.0] Download1102.3225.12MTAAPTLQTIRLAPKALLHDHLDGGLRPATVLDIAGQVGYDDLPATDVDALASWFRTQSHSGSLERYLEPFSHTVAVMQTPEALYRVAFECAQDLAADSVVYAEVRFAPELHISCGLSFDDVVDTVLTGFAAGEKACAADGQPITVRCLVTAMRHAAMSREIAELAIRFRDKGVVGFDIAGAEAGHPPTRHLDAFEYMRDHNARFTIHAGEAFGLPSIHEAIAFCGADRLGHGVRIVDDIDVDADGGFQLGRLAAILRDKRIPLELCPSSNVQTGAVASIAEHPFDLLARARFRVTVNTDNRLMSDTSMSLEMHRLVEAFGYGWSDLARFTVNAMKSAFIPFDQRLAIIDEVIKPRFAALMGHSE
Complex: EH9_A_3(2Z7G) / Model_13(2Z7G/A) = [6.0] Download880.4622.12MTAAPTLQTIRLAPKALLHDHLDGGLRPATVLDIAGQVGYDDLPATDVDALASWFRTQSHSGSLERYLEPFSHTVAVMQTPEALYRVAFECAQDLAADSVVYAEVRFAPELHISCGLSFDDVVDTVLTGFAAGEKACAADGQPITVRCLVTAMRHAAMSREIAELAIRFRDKGVVGFDIAGAEAGHPPTRHLDAFEYMRDHNARFTIHAGEAFGLPSIHEAIAFCGADRLGHGVRIVDDIDVDADGGFQLGRLAAILRDKRIPLELCPSSNVQTGAVASIAEHPFDLLARARFRVTVNTDNRLMSDTSMSLEMHRLVEAFGYGWSDLARFTVNAMKSAFIPFDQRLAIIDEVIKPRFAALMGHSE
Consensus
[pKd Mean = 5.52]
-732
(s=253)
21
(s=2)
MTAAPTLQTIRLAPKALLHDHLDGGLRPATVLDIAGQVGYDDLPATDVDALASWFRTQSHSGSLERYLEPFSHTVAVMQTPEALYRVAFECAQDLAADSVVYAEVRFAPELHISCGLSFDDVVDTVLTGFAAGEKACAADGQPITVRCLVTAMRHAAMSREIAELAIRFRDKGVVGFDIAGAEAGHPPTRHLDAFEYMRDHNARFTIHAGEAFGLPSIHEAIAFCGADRLGHGVRIVDDIDVDADGGFQLGRLAAILRDKRIPLELCPSSNVQTGAVASIAEHPFDLLARARFRVTVNTDNRLMSDTSMSLEMHRLVEAFGYGWSDLARFTVNAMKSAFIPFDQRLAIIDEVIKPRFAALMGHSE