Study : PA1905 (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: FMN_H_8(1T9M) / Model_1(1T9M/A) = [3.1] Download815.3132.13MMGVNANISESLTGTIEAPFPEFEAPPANPMEVLRNWLERARRYGVREPRALALATVDGQGRPSTRIVVIAELGERGVVFATHADSQKGRELAQNPWASGVLYWRESSQQIILNGRAERLPDERADAQWLSRPYQTHPMSIASRQSETLADIHALRAEARRLAETDGPLPRPPGYCLFELCLESVEFWGNGTERLHERLRYDRDEGGWKHRYLQP
Complex: FMN_G_7(1TY9) / Model_21(1TY9/B) = [3.4] Download1350.5524.53MMGVNANISESLTGTIEAPFPEFEAPPANPMEVLRNWLERARRYGVREPRALALATVDGQGRPSTRIVVIAELGERGVVFATHADSQKGRELAQNPWASGVLYWRESSQQIILNGRAERLPDERADAQWLSRPYQTHPMSIASRQSETLADIHALRAEARRLAETDGPLPRPPGYCLFELCLESVEFWGNGTERLHERLRYDRDEGGWKHRYLQP
Complex: FMN_B_8(4HMS) / Model_25(4HMS/B) = [3.6] Download1627.5225.78MMGVNANISESLTGTIEAPFPEFEAPPANPMEVLRNWLERARRYGVREPRALALATVDGQGRPSTRIVVIAELGERGVVFATHADSQKGRELAQNPWASGVLYWRESSQQIILNGRAERLPDERADAQWLSRPYQTHPMSIASRQSETLADIHALRAEARRLAETDGPLPRPPGYCLFELCLESVEFWGNGTERLHERLRYDRDEGGWKHRYLQP
Complex: FMN_B_4(4HMW) / Model_27(4HMW/B) = [8.0] Download893.9023.26MMGVNANISESLTGTIEAPFPEFEAPPANPMEVLRNWLERARRYGVREPRALALATVDGQGRPSTRIVVIAELGERGVVFATHADSQKGRELAQNPWASGVLYWRESSQQIILNGRAERLPDERADAQWLSRPYQTHPMSIASRQSETLADIHALRAEARRLAETDGPLPRPPGYCLFELCLESVEFWGNGTERLHERLRYDRDEGGWKHRYLQP
Complex: FMN_B_6(4HMV) / Model_22(4HMV/B) = [8.2] Download822.8825.68MMGVNANISESLTGTIEAPFPEFEAPPANPMEVLRNWLERARRYGVREPRALALATVDGQGRPSTRIVVIAELGERGVVFATHADSQKGRELAQNPWASGVLYWRESSQQIILNGRAERLPDERADAQWLSRPYQTHPMSIASRQSETLADIHALRAEARRLAETDGPLPRPPGYCLFELCLESVEFWGNGTERLHERLRYDRDEGGWKHRYLQP
Consensus
[pKd Mean = 5.26]
-1102
(s=329)
26
(s=3)
MMGVNANISESLTGTIEAPFPEFEAPPANPMEVLRNWLERARRYGVREPRALALATVDGQGRPSTRIVVIAELGERGVVFATHADSQKGRELAQNPWASGVLYWRESSQQIILNGRAERLPDERADAQWLSRPYQTHPMSIASRQSETLADIHALRAEARRLAETDGPLPRPPGYCLFELCLESVEFWGNGTERLHERLRYDRDEGGWKHRYLQP