Study : PF00068_PA2A1_NAJMO (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: CHAIN_P_2(1T37) / Model_24(1T37/A) = [3.1] Download--NLYQFKNMIHCTVPSRPWWHFADYGCYCGRGGKGTAVDDLDRCCQVHDNCYGEAEKLGCWPYLTLYKYECSQGKLTCSGGNNKCEAAVCNCDLVAANCFAGAPYIDANYNVNLKERCQ
Complex: EOH_A_5(1YXH) / Model_22(1YXH/A) = [3.2] Download398.4329.86NLYQFKNMIHCTVPSRPWWHFADYGCYCGRGGKGTAVDDLDRCCQVHDNCYGEAEKLGCWPYLTLYKYECSQGKLTCSGGNNKCEAAVCNCDLVAANCFAGAPYIDANYNVNLKERCQ
Complex: EOH_A_3(3Q4Y) / Model_14(3Q4Y/A) = [3.2] Download311.1427.53NLYQFKNMIHCTVPSRPWWHFADYGCYCGRGGKGTAVDDLDRCCQVHDNCYGEAEKLGCWPYLTLYKYECSQGKLTCSGGNNKCEAAVCNCDLVAANCFAGAPYIDANYNVNLKERCQ
Complex: ANN_A_2(3NJU) / Model_16(3NJU/A) = [3.3] Download434.3524.06NLYQFKNMIHCTVPSRPWWHFADYGCYCGRGGKGTAVDDLDRCCQVHDNCYGEAEKLGCWPYLTLYKYECSQGKLTCSGGNNKCEAAVCNCDLVAANCFAGAPYIDANYNVNLKERCQ
Complex: ACY_A_4(1YXL) / Model_10(1YXL/A) = [3.4] Download332.7624.13NLYQFKNMIHCTVPSRPWWHFADYGCYCGRGGKGTAVDDLDRCCQVHDNCYGEAEKLGCWPYLTLYKYECSQGKLTCSGGNNKCEAAVCNCDLVAANCFAGAPYIDANYNVNLKERCQ
Consensus
[pKd Mean = 3.24]
-369
(s=49)
26
(s=2)
NLYQFKNMIHCTVPSRPWWHFADYGCYCGRGGKGTAVDDLDRCCQVHDNCYGEAEKLGCWPYLTLYKYECSQGKLTCSGGNNKCEAAVCNCDLVAANCFAGAPYIDANYNVNLKERCQ