Study : A6G1I2_9DELT (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: ZIT_A_3(5IGI) / Model_46(5IGI/A) = [3.1] Download2180.8820.33MNRLHAFIDLDRGAVADLTADYSLGELRSVEPLVTGIINTNYVLRTDAGDFLLRLYPPERSADALRFEFSTLARLAEANFPCPRVIANREGKTVAWSEAHARHYAVLEFIPGTTLPREAIDAGVVDQIGSLFADMQRTLSGFVPEGDKPRADLEFVRELGQATLDRIAALPGEGPATAERLRQVWARSHARFDQPKGSVPALERGVVHADLYFDNVIVEGDQIRGVIDFDDSYFGLFLIDLAVTLMEFTFVEADALDFELGERLLRRYYARRPEAKGEAHLLHDGMICACYKYLGYTADLPEYAGEALLGNEYIARIDYLARPEIRAKVEAMIAAAVEVPA
Complex: ADN_A_5(2Q83) / Model_41(2Q83/A) = [3.3] Download933.3224.37MNRLHAFIDLDRGAVADLTADYSLGELRSVEPLVTGIINTNYVLRTDAGDFLLRLYPPERSADALRFEFSTLARLAEANFPCPRVIANREGKTVAWSEAHARHYAVLEFIPGTTLPREAIDAGVVDQIGSLFADMQRTLSGFVPEGDKPRADLEFVRELGQATLDRIAALPGEGPATAERLRQVWARSHARFDQPKGSVPALERGVVHADLYFDNVIVEGDQIRGVIDFDDSYFGLFLIDLAVTLMEFTFVEADALDFELGERLLRRYYARRPEAKGEAHLLHDGMICACYKYLGYTADLPEYAGEALLGNEYIARIDYLARPEIRAKVEAMIAAAVEVPA
Complex: ANP_A_3(4OCV) / Model_65(4OCV/A) = [4.1] Download1049.3412.27MNRLHAFIDLDRGAVADLTADYSLGELRSVEPLVTGIINTNYVLRTDAGDFLLRLYPPERSADALRFEFSTLARLAEANFPCPRVIANREGKTVAWSEAHARHYAVLEFIPGTTLPREAIDAGVVDQIGSLFADMQRTLSGFVPEGDKPRADLEFVRELGQATLDRIAALPGEGPATAERLRQVWARSHARFDQPKGSVPALERGVVHADLYFDNVIVEGDQIRGVIDFDDSYFGLFLIDLAVTLMEFTFVEADALDFELGERLLRRYYARRPEAKGEAHLLHDGMICACYKYLGYTADLPEYAGEALLGNEYIARIDYLARPEIRAKVEAMIAAAVEVPA
Complex: AMP_A_3(4R78) / Model_53(4R78/A) = [4.3] Download836.839.52MNRLHAFIDLDRGAVADLTADYSLGELRSVEPLVTGIINTNYVLRTDAGDFLLRLYPPERSADALRFEFSTLARLAEANFPCPRVIANREGKTVAWSEAHARHYAVLEFIPGTTLPREAIDAGVVDQIGSLFADMQRTLSGFVPEGDKPRADLEFVRELGQATLDRIAALPGEGPATAERLRQVWARSHARFDQPKGSVPALERGVVHADLYFDNVIVEGDQIRGVIDFDDSYFGLFLIDLAVTLMEFTFVEADALDFELGERLLRRYYARRPEAKGEAHLLHDGMICACYKYLGYTADLPEYAGEALLGNEYIARIDYLARPEIRAKVEAMIAAAVEVPA
Complex: ANP_A_3(4OCV) / Model_42(4OCV/A) = [4.5] Download1334.9212.27MNRLHAFIDLDRGAVADLTADYSLGELRSVEPLVTGIINTNYVLRTDAGDFLLRLYPPERSADALRFEFSTLARLAEANFPCPRVIANREGKTVAWSEAHARHYAVLEFIPGTTLPREAIDAGVVDQIGSLFADMQRTLSGFVPEGDKPRADLEFVRELGQATLDRIAALPGEGPATAERLRQVWARSHARFDQPKGSVPALERGVVHADLYFDNVIVEGDQIRGVIDFDDSYFGLFLIDLAVTLMEFTFVEADALDFELGERLLRRYYARRPEAKGEAHLLHDGMICACYKYLGYTADLPEYAGEALLGNEYIARIDYLARPEIRAKVEAMIAAAVEVPA
Consensus
[pKd Mean = 3.86]
-1267
(s=486)
15
(s=5)
MNRLHAFIDLDRGAVADLTADYSLGELRSVEPLVTGIINTNYVLRTDAGDFLLRLYPPERSADALRFEFSTLARLAEANFPCPRVIANREGKTVAWSEAHARHYAVLEFIPGTTLPREAIDAGVVDQIGSLFADMQRTLSGFVPEGDKPRADLEFVRELGQATLDRIAALPGEGPATAERLRQVWARSHARFDQPKGSVPALERGVVHADLYFDNVIVEGDQIRGVIDFDDSYFGLFLIDLAVTLMEFTFVEADALDFELGERLLRRYYARRPEAKGEAHLLHDGMICACYKYLGYTADLPEYAGEALLGNEYIARIDYLARPEIRAKVEAMIAAAVEVPA