Study : jhp_0607 (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: A_D_16(4M30) / Model_22(4M30/B) = [3.1] Download--MKNKRSQNSPYVTPDNPYLTLEKALGYSFKDKRLLEQALTHKSCKLALNNERLEFLGDAVLGLVIGELLYHKFYQYDEGKLSKLRASIVSAHGFTKLAKAIALQDYLRVSSSEEISKGREKPSILSSAFEALMAGVYLEAGLAKVRKIIQNLLNRAYKRLDLEHLFMDYKTALQELTQAQFCVIPTYQLLQEKGPDHHKEFEMALYIQDKMYATAKGKSKKEAEQQCAYQALQKLKEAK
Complex: C_C_9(4M2Z) / Model_23(4M2Z/B) = [3.1] Download--MKNKRSQNSPYVTPDNPYLTLEKALGYSFKDKRLLEQALTHKSCKLALNNERLEFLGDAVLGLVIGELLYHKFYQYDEGKLSKLRASIVSAHGFTKLAKAIALQDYLRVSSSEEISKGREKPSILSSAFEALMAGVYLEAGLAKVRKIIQNLLNRAYKRLDLEHLFMDYKTALQELTQAQFCVIPTYQLLQEKGPDHHKEFEMALYIQDKMYATAKGKSKKEAEQQCAYQALQKLKEAK
Complex: A_C_12(4M30) / Model_11(4M30/A) = [3.2] Download--MKNKRSQNSPYVTPDNPYLTLEKALGYSFKDKRLLEQALTHKSCKLALNNERLEFLGDAVLGLVIGELLYHKFYQYDEGKLSKLRASIVSAHGFTKLAKAIALQDYLRVSSSEEISKGREKPSILSSAFEALMAGVYLEAGLAKVRKIIQNLLNRAYKRLDLEHLFMDYKTALQELTQAQFCVIPTYQLLQEKGPDHHKEFEMALYIQDKMYATAKGKSKKEAEQQCAYQALQKLKEAK
Complex: A_D_16(4M30) / Model_11(4M30/A) = [3.2] Download--MKNKRSQNSPYVTPDNPYLTLEKALGYSFKDKRLLEQALTHKSCKLALNNERLEFLGDAVLGLVIGELLYHKFYQYDEGKLSKLRASIVSAHGFTKLAKAIALQDYLRVSSSEEISKGREKPSILSSAFEALMAGVYLEAGLAKVRKIIQNLLNRAYKRLDLEHLFMDYKTALQELTQAQFCVIPTYQLLQEKGPDHHKEFEMALYIQDKMYATAKGKSKKEAEQQCAYQALQKLKEAK
Complex: NACID_C_1(2NUG) / Model_24(2NUG/B) = [4.6] Download--MKNKRSQNSPYVTPDNPYLTLEKALGYSFKDKRLLEQALTHKSCKLALNNERLEFLGDAVLGLVIGELLYHKFYQYDEGKLSKLRASIVSAHGFTKLAKAIALQDYLRVSSSEEISKGREKPSILSSAFEALMAGVYLEAGLAKVRKIIQNLLNRAYKRLDLEHLFMDYKTALQELTQAQFCVIPTYQLLQEKGPDHHKEFEMALYIQDKMYATAKGKSKKEAEQQCAYQALQKLKEAK
Consensus
[pKd Mean = 3.44]
-0
(s=0)
0
(s=0)
MKNKRSQNSPYVTPDNPYLTLEKALGYSFKDKRLLEQALTHKSCKLALNNERLEFLGDAVLGLVIGELLYHKFYQYDEGKLSKLRASIVSAHGFTKLAKAIALQDYLRVSSSEEISKGREKPSILSSAFEALMAGVYLEAGLAKVRKIIQNLLNRAYKRLDLEHLFMDYKTALQELTQAQFCVIPTYQLLQEKGPDHHKEFEMALYIQDKMYATAKGKSKKEAEQQCAYQALQKLKEAK