Study : Lmo0203 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_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 C8_S1
Complex: ANL_A_7(3MS3) / Model_97(3MS3/A) = [3.1] Download325.85-1.56MKSKLICIIMVIAFQAHFTMTVKADSVGEEKLQNNTQAKKTPADLKALPDSCEAKDFYKNFKILDMTKDKLGVTHYTLALSSGGYLTDNDEIKVHVTPDNKITFINGDLQQGQLRITNQIKITEKNAIEKAFEAIGQSEAHVKSYVGNPVKEKEIILNSRTKRLVYNIKLIFAEPEVASWIVQVDVETGAILKKQNMLSEVERADTHKDFQALGKGANRLLQRPLHVMKINDLFYLVDRTHKGLIRTFDLKHNTDTSFGKVVSNKTNMFTDPEFSSAVDAHFYASEVYEYYKNVHQLESLDGKGGEIDSFVHYGLNCNNAFWDGQEILYGDGDKKNFKPFSCAKTIVGHELTHAVIQYSAGLEYEGQSGALNESFADVFGYFIAPNHWLIGEDVCVRGSRDGRIRSIKDPDKYNQAAHMKDYESLPLTEEGDWGGVHYNSGIPNKAAYNTITKLGKEKTEQLYFRALKYYLTKKSQFTDAKKALQQAAKDLYGEDASKKVAEAWEAVGVN
Complex: GOL_B_14(3SSB) / Model_87(3SSB/B) = [3.1] Download502.8617.60MKSKLICIIMVIAFQAHFTMTVKADSVGEEKLQNNTQAKKTPADLKALPDSCEAKDFYKNFKILDMTKDKLGVTHYTLALSSGGYLTDNDEIKVHVTPDNKITFINGDLQQGQLRITNQIKITEKNAIEKAFEAIGQSEAHVKSYVGNPVKEKEIILNSRTKRLVYNIKLIFAEPEVASWIVQVDVETGAILKKQNMLSEVERADTHKDFQALGKGANRLLQRPLHVMKINDLFYLVDRTHKGLIRTFDLKHNTDTSFGKVVSNKTNMFTDPEFSSAVDAHFYASEVYEYYKNVHQLESLDGKGGEIDSFVHYGLNCNNAFWDGQEILYGDGDKKNFKPFSCAKTIVGHELTHAVIQYSAGLEYEGQSGALNESFADVFGYFIAPNHWLIGEDVCVRGSRDGRIRSIKDPDKYNQAAHMKDYESLPLTEEGDWGGVHYNSGIPNKAAYNTITKLGKEKTEQLYFRALKYYLTKKSQFTDAKKALQQAAKDLYGEDASKKVAEAWEAVGVN
Complex: ASN_A_21(4M65) / Model_2(4M65/A) = [3.2] Download6292.2424.53MKSKLICIIMVIAFQAHFTMTVKADSVGEEKLQNNTQAKKTPADLKALPDSCEAKDFYKNFKILDMTKDKLGVTHYTLALSSGGYLTDNDEIKVHVTPDNKITFINGDLQQGQLRITNQIKITEKNAIEKAFEAIGQSEAHVKSYVGNPVKEKEIILNSRTKRLVYNIKLIFAEPEVASWIVQVDVETGAILKKQNMLSEVERADTHKDFQALGKGANRLLQRPLHVMKINDLFYLVDRTHKGLIRTFDLKHNTDTSFGKVVSNKTNMFTDPEFSSAVDAHFYASEVYEYYKNVHQLESLDGKGGEIDSFVHYGLNCNNAFWDGQEILYGDGDKKNFKPFSCAKTIVGHELTHAVIQYSAGLEYEGQSGALNESFADVFGYFIAPNHWLIGEDVCVRGSRDGRIRSIKDPDKYNQAAHMKDYESLPLTEEGDWGGVHYNSGIPNKAAYNTITKLGKEKTEQLYFRALKYYLTKKSQFTDAKKALQQAAKDLYGEDASKKVAEAWEAVGVN
Complex: NMU_A_7(3MSN) / Model_94(3MSN/A) = [3.2] Download260.70-9.33MKSKLICIIMVIAFQAHFTMTVKADSVGEEKLQNNTQAKKTPADLKALPDSCEAKDFYKNFKILDMTKDKLGVTHYTLALSSGGYLTDNDEIKVHVTPDNKITFINGDLQQGQLRITNQIKITEKNAIEKAFEAIGQSEAHVKSYVGNPVKEKEIILNSRTKRLVYNIKLIFAEPEVASWIVQVDVETGAILKKQNMLSEVERADTHKDFQALGKGANRLLQRPLHVMKINDLFYLVDRTHKGLIRTFDLKHNTDTSFGKVVSNKTNMFTDPEFSSAVDAHFYASEVYEYYKNVHQLESLDGKGGEIDSFVHYGLNCNNAFWDGQEILYGDGDKKNFKPFSCAKTIVGHELTHAVIQYSAGLEYEGQSGALNESFADVFGYFIAPNHWLIGEDVCVRGSRDGRIRSIKDPDKYNQAAHMKDYESLPLTEEGDWGGVHYNSGIPNKAAYNTITKLGKEKTEQLYFRALKYYLTKKSQFTDAKKALQQAAKDLYGEDASKKVAEAWEAVGVN
Complex: M3S_A_7(3FCQ) / Model_44(3FCQ/A) = [3.3] Download586.372.50MKSKLICIIMVIAFQAHFTMTVKADSVGEEKLQNNTQAKKTPADLKALPDSCEAKDFYKNFKILDMTKDKLGVTHYTLALSSGGYLTDNDEIKVHVTPDNKITFINGDLQQGQLRITNQIKITEKNAIEKAFEAIGQSEAHVKSYVGNPVKEKEIILNSRTKRLVYNIKLIFAEPEVASWIVQVDVETGAILKKQNMLSEVERADTHKDFQALGKGANRLLQRPLHVMKINDLFYLVDRTHKGLIRTFDLKHNTDTSFGKVVSNKTNMFTDPEFSSAVDAHFYASEVYEYYKNVHQLESLDGKGGEIDSFVHYGLNCNNAFWDGQEILYGDGDKKNFKPFSCAKTIVGHELTHAVIQYSAGLEYEGQSGALNESFADVFGYFIAPNHWLIGEDVCVRGSRDGRIRSIKDPDKYNQAAHMKDYESLPLTEEGDWGGVHYNSGIPNKAAYNTITKLGKEKTEQLYFRALKYYLTKKSQFTDAKKALQQAAKDLYGEDASKKVAEAWEAVGVN
Consensus
[pKd Mean = 3.18]
-1593
(s=2352)
6
(s=12)
MKSKLICIIMVIAFQAHFTMTVKADSVGEEKLQNNTQAKKTPADLKALPDSCEAKDFYKNFKILDMTKDKLGVTHYTLALSSGGYLTDNDEIKVHVTPDNKITFINGDLQQGQLRITNQIKITEKNAIEKAFEAIGQSEAHVKSYVGNPVKEKEIILNSRTKRLVYNIKLIFAEPEVASWIVQVDVETGAILKKQNMLSEVERADTHKDFQALGKGANRLLQRPLHVMKINDLFYLVDRTHKGLIRTFDLKHNTDTSFGKVVSNKTNMFTDPEFSSAVDAHFYASEVYEYYKNVHQLESLDGKGGEIDSFVHYGLNCNNAFWDGQEILYGDGDKKNFKPFSCAKTIVGHELTHAVIQYSAGLEYEGQSGALNESFADVFGYFIAPNHWLIGEDVCVRGSRDGRIRSIKDPDKYNQAAHMKDYESLPLTEEGDWGGVHYNSGIPNKAAYNTITKLGKEKTEQLYFRALKYYLTKKSQFTDAKKALQQAAKDLYGEDASKKVAEAWEAVGVN