Study : bsu32750 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C1_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 C1_S1
Complex: ATP_C_3(1VCI) / Model_59(1VCI/A) = [3.4] Download1402.36-7.78MINLQDVSKVYKSKHGDVNAVQNVSLSIKKGEIFGIIGYSGAGKSSLIRLLNGLEKPTSGTVEVAGTKINEVNGRGLRKARHEISMIFQHFNLLWSRTVRDNIMFPLEIAGVKKSERIKRANELIKLVGLEGKEKSYPSQLSGGQKQRVGIARALANNPKVLLCDEATSALDPQTTDSILDLLSDINERLGLTIVLITHEMHVIRKICNRVAVMENGKVVEEGEVLDVFKNPKEQMTKRFVQQVTEPEETKETLQHLLDDTASGKMVQLTFVGESAEQPLITEMIRNFNVSVNILQGKISQTKDGAYGSLFIHIDGDEEEVQNVIRFINDKQVKAEVITNV
Complex: ADP_B_2(2FFB) / Model_97(2FFB/A) = [5.0] Download489.99-4.23MINLQDVSKVYKSKHGDVNAVQNVSLSIKKGEIFGIIGYSGAGKSSLIRLLNGLEKPTSGTVEVAGTKINEVNGRGLRKARHEISMIFQHFNLLWSRTVRDNIMFPLEIAGVKKSERIKRANELIKLVGLEGKEKSYPSQLSGGQKQRVGIARALANNPKVLLCDEATSALDPQTTDSILDLLSDINERLGLTIVLITHEMHVIRKICNRVAVMENGKVVEEGEVLDVFKNPKEQMTKRFVQQVTEPEETKETLQHLLDDTASGKMVQLTFVGESAEQPLITEMIRNFNVSVNILQGKISQTKDGAYGSLFIHIDGDEEEVQNVIRFINDKQVKAEVITNV
Complex: ADP_B_2(2FF7) / Model_90(2FF7/A) = [5.0] Download589.09-4.23MINLQDVSKVYKSKHGDVNAVQNVSLSIKKGEIFGIIGYSGAGKSSLIRLLNGLEKPTSGTVEVAGTKINEVNGRGLRKARHEISMIFQHFNLLWSRTVRDNIMFPLEIAGVKKSERIKRANELIKLVGLEGKEKSYPSQLSGGQKQRVGIARALANNPKVLLCDEATSALDPQTTDSILDLLSDINERLGLTIVLITHEMHVIRKICNRVAVMENGKVVEEGEVLDVFKNPKEQMTKRFVQQVTEPEETKETLQHLLDDTASGKMVQLTFVGESAEQPLITEMIRNFNVSVNILQGKISQTKDGAYGSLFIHIDGDEEEVQNVIRFINDKQVKAEVITNV
Complex: 12D_A_2(3B5J) / Model_92(3B5J/A) = [5.1] Download363.95-4.23MINLQDVSKVYKSKHGDVNAVQNVSLSIKKGEIFGIIGYSGAGKSSLIRLLNGLEKPTSGTVEVAGTKINEVNGRGLRKARHEISMIFQHFNLLWSRTVRDNIMFPLEIAGVKKSERIKRANELIKLVGLEGKEKSYPSQLSGGQKQRVGIARALANNPKVLLCDEATSALDPQTTDSILDLLSDINERLGLTIVLITHEMHVIRKICNRVAVMENGKVVEEGEVLDVFKNPKEQMTKRFVQQVTEPEETKETLQHLLDDTASGKMVQLTFVGESAEQPLITEMIRNFNVSVNILQGKISQTKDGAYGSLFIHIDGDEEEVQNVIRFINDKQVKAEVITNV
Complex: 128_A_2(2PMK) / Model_89(2PMK/A) = [5.1] Download675.89-3.75MINLQDVSKVYKSKHGDVNAVQNVSLSIKKGEIFGIIGYSGAGKSSLIRLLNGLEKPTSGTVEVAGTKINEVNGRGLRKARHEISMIFQHFNLLWSRTVRDNIMFPLEIAGVKKSERIKRANELIKLVGLEGKEKSYPSQLSGGQKQRVGIARALANNPKVLLCDEATSALDPQTTDSILDLLSDINERLGLTIVLITHEMHVIRKICNRVAVMENGKVVEEGEVLDVFKNPKEQMTKRFVQQVTEPEETKETLQHLLDDTASGKMVQLTFVGESAEQPLITEMIRNFNVSVNILQGKISQTKDGAYGSLFIHIDGDEEEVQNVIRFINDKQVKAEVITNV
Consensus
[pKd Mean = 4.72]
-704
(s=364)
-4
(s=1)
MINLQDVSKVYKSKHGDVNAVQNVSLSIKKGEIFGIIGYSGAGKSSLIRLLNGLEKPTSGTVEVAGTKINEVNGRGLRKARHEISMIFQHFNLLWSRTVRDNIMFPLEIAGVKKSERIKRANELIKLVGLEGKEKSYPSQLSGGQKQRVGIARALANNPKVLLCDEATSALDPQTTDSILDLLSDINERLGLTIVLITHEMHVIRKICNRVAVMENGKVVEEGEVLDVFKNPKEQMTKRFVQQVTEPEETKETLQHLLDDTASGKMVQLTFVGESAEQPLITEMIRNFNVSVNILQGKISQTKDGAYGSLFIHIDGDEEEVQNVIRFINDKQVKAEVITNV