Study : Rv2436 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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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: RIB_A_5(4XDA) / Model_65(4XDA/A) = [3.2] Download336.9910.82MANASETNVGPMAPRVCVVGSVNMDLTFVVDALPRPGETVLAASLTRTPGGKGANQAVAAARAGAQVQFSGAFGDDPAAAQLRAHLRANAVGLDRTVTVPGPSGTAIIVVDASAENTVLVAPGANAHLTPVPSAVANCDVLLTQLEIPVATALAAARAAQSADAVVMVNASPAGQDRSSLQDLAAIADVVIANEHEANDWPSPPTHFVITLGVRGARYVGADGVFEVPAPTVTPVDTAGAGDVFAGVLAANWPRNPGSPAERLRALRRACAAGALATLVSGVGDCAPAAAAIDAALRANRHNGS
Complex: RIB_C_11(4XCK) / Model_33(4XCK/C) = [3.3] Download291.828.12MANASETNVGPMAPRVCVVGSVNMDLTFVVDALPRPGETVLAASLTRTPGGKGANQAVAAARAGAQVQFSGAFGDDPAAAQLRAHLRANAVGLDRTVTVPGPSGTAIIVVDASAENTVLVAPGANAHLTPVPSAVANCDVLLTQLEIPVATALAAARAAQSADAVVMVNASPAGQDRSSLQDLAAIADVVIANEHEANDWPSPPTHFVITLGVRGARYVGADGVFEVPAPTVTPVDTAGAGDVFAGVLAANWPRNPGSPAERLRALRRACAAGALATLVSGVGDCAPAAAAIDAALRANRHNGS
Complex: RIB_C_3(1RKS) / Model_5(1RKS/A) = [3.3] Download381.915.44MANASETNVGPMAPRVCVVGSVNMDLTFVVDALPRPGETVLAASLTRTPGGKGANQAVAAARAGAQVQFSGAFGDDPAAAQLRAHLRANAVGLDRTVTVPGPSGTAIIVVDASAENTVLVAPGANAHLTPVPSAVANCDVLLTQLEIPVATALAAARAAQSADAVVMVNASPAGQDRSSLQDLAAIADVVIANEHEANDWPSPPTHFVITLGVRGARYVGADGVFEVPAPTVTPVDTAGAGDVFAGVLAANWPRNPGSPAERLRALRRACAAGALATLVSGVGDCAPAAAAIDAALRANRHNGS
Complex: RIB_D_15(1GQT) / Model_26(1GQT/D) = [3.4] Download344.9811.78MANASETNVGPMAPRVCVVGSVNMDLTFVVDALPRPGETVLAASLTRTPGGKGANQAVAAARAGAQVQFSGAFGDDPAAAQLRAHLRANAVGLDRTVTVPGPSGTAIIVVDASAENTVLVAPGANAHLTPVPSAVANCDVLLTQLEIPVATALAAARAAQSADAVVMVNASPAGQDRSSLQDLAAIADVVIANEHEANDWPSPPTHFVITLGVRGARYVGADGVFEVPAPTVTPVDTAGAGDVFAGVLAANWPRNPGSPAERLRALRRACAAGALATLVSGVGDCAPAAAAIDAALRANRHNGS
Complex: RIB_A_3(3GO6) / Model_61(3GO6/A) = [3.4] Download204.6510.69MANASETNVGPMAPRVCVVGSVNMDLTFVVDALPRPGETVLAASLTRTPGGKGANQAVAAARAGAQVQFSGAFGDDPAAAQLRAHLRANAVGLDRTVTVPGPSGTAIIVVDASAENTVLVAPGANAHLTPVPSAVANCDVLLTQLEIPVATALAAARAAQSADAVVMVNASPAGQDRSSLQDLAAIADVVIANEHEANDWPSPPTHFVITLGVRGARYVGADGVFEVPAPTVTPVDTAGAGDVFAGVLAANWPRNPGSPAERLRALRRACAAGALATLVSGVGDCAPAAAAIDAALRANRHNGS
Consensus
[pKd Mean = 3.32]
-312
(s=60)
9
(s=2)
MANASETNVGPMAPRVCVVGSVNMDLTFVVDALPRPGETVLAASLTRTPGGKGANQAVAAARAGAQVQFSGAFGDDPAAAQLRAHLRANAVGLDRTVTVPGPSGTAIIVVDASAENTVLVAPGANAHLTPVPSAVANCDVLLTQLEIPVATALAAARAAQSADAVVMVNASPAGQDRSSLQDLAAIADVVIANEHEANDWPSPPTHFVITLGVRGARYVGADGVFEVPAPTVTPVDTAGAGDVFAGVLAANWPRNPGSPAERLRALRRACAAGALATLVSGVGDCAPAAAAIDAALRANRHNGS