Study : PA3475 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: GOL_A_4(3KBR) / Model_1(3KBR/A) = [3.4] Download833.656.35MPKSFRHLVQALACLALLASASLQAQESRLDRILESGVLRVATTGDYKPFSYRTEEGGYAGFDVDMAQRLAESLGAKLVVVPTSWPNLMRDFADDRFDIAMSGISINLERQRQAYFSIPYLRDGKTPITLCSEEARFQTLEQIDQPGVTAIVNPGGTNEKFARANLKKARILVHPDNVTIFQQIVDGKADLMMTDAIEARLQSRLHPELCAVHPQQPFDFAEKAYLLPRDEAFKRYVDQWLHIAEQSGLLRQRMEHWLEYRWPTAHGK
Complex: EPE_A_11(3KBR) / Model_23(3KBR/A) = [4.0] Download526.052.77MPKSFRHLVQALACLALLASASLQAQESRLDRILESGVLRVATTGDYKPFSYRTEEGGYAGFDVDMAQRLAESLGAKLVVVPTSWPNLMRDFADDRFDIAMSGISINLERQRQAYFSIPYLRDGKTPITLCSEEARFQTLEQIDQPGVTAIVNPGGTNEKFARANLKKARILVHPDNVTIFQQIVDGKADLMMTDAIEARLQSRLHPELCAVHPQQPFDFAEKAYLLPRDEAFKRYVDQWLHIAEQSGLLRQRMEHWLEYRWPTAHGK
Consensus
[pKd Mean = 3.70]
-679
(s=153)
4
(s=1)
MPKSFRHLVQALACLALLASASLQAQESRLDRILESGVLRVATTGDYKPFSYRTEEGGYAGFDVDMAQRLAESLGAKLVVVPTSWPNLMRDFADDRFDIAMSGISINLERQRQAYFSIPYLRDGKTPITLCSEEARFQTLEQIDQPGVTAIVNPGGTNEKFARANLKKARILVHPDNVTIFQQIVDGKADLMMTDAIEARLQSRLHPELCAVHPQQPFDFAEKAYLLPRDEAFKRYVDQWLHIAEQSGLLRQRMEHWLEYRWPTAHGK