eF-site ID 6fe3-AB
PDB Code 6fe3
Chain A, B

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Title Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1439
Classification HYDROLASE
Compound Phosphodiesterase
Source (Q8WQX9_9TRYP)
Sequence A:  VTAITKVEREAVLVCELPSFDVTDVEFDLFRARESTDKPL
DVAAAIAYRLLLGSGLPQKFGCSDEVLLNFILQCRKKYRN
VPYHNFYHVVDVCQTIHTFLYRGNVYEKLTELECFVLLIT
ALVHDLDHMGLNNSFYLKTESPLGILSSASGNTSVLEVHH
CNLAVEILSDPESDVFDGLEGAERTLAFRSMIDCVLATDM
AKHGSALEAFLASAADQSSDEAAFHRMTMEIILKAGDISN
VTKPFDISRQWAMAVTEEFYRQGDMEKERGVEVLPMFDRS
KNMELAKGQIGFIDFVAAPFFQKIVDACLQGMQWTVDRIK
SNRAQWERVLETR
B:  VTAITKVEREAVLVCELPSFDVTDVEFDLFRARESTDKPL
DVAAAIAYRLLLGSGLPQKFGCSDEVLLNFILQCRKKYRN
VPYHNFYHVVDVCQTIHTFLYRGNVYEKLTELECFVLLIT
ALVHDLDHMGLNNSFYLKTESPLGILSSASGNTSVLEVHH
CNLAVEILSDPESDVFDGLEGAERTLAFRSMIDCVLATDM
AKHGSALEAFLASAADQSSDEAAFHRMTMEIILKAGDISN
VTKPFDISRQWAMAVTEEFYRQGDMEKERGVEVLPMFDRS
KNMELAKGQIGFIDFVAAPFFQKIVDACLQGMQWTVDRIK
SNRAQWERVLET
Description


Functional site

1) chain A
residue 753
type
sequence L
description binding site for residue GAI A 1001
source : AC1

2) chain A
residue 754
type
sequence S
description binding site for residue GAI A 1001
source : AC1

3) chain A
residue 759
type
sequence D
description binding site for residue GAI A 1001
source : AC1

4) chain A
residue 762
type
sequence D
description binding site for residue GAI A 1001
source : AC1

5) chain A
residue 769
type
sequence R
description binding site for residue GAI A 1001
source : AC1

6) chain A
residue 915
type
sequence L
description binding site for residue GAI A 1001
source : AC1

7) chain A
residue 913
type
sequence R
description binding site for residue GAI A 1002
source : AC2

8) chain B
residue 665
type
sequence N
description binding site for residue GAI A 1002
source : AC2

9) chain A
residue 785
type
sequence M
description binding site for residue D68 A 1003
source : AC3

10) chain A
residue 822
type
sequence D
description binding site for residue D68 A 1003
source : AC3

11) chain A
residue 825
type
sequence N
description binding site for residue D68 A 1003
source : AC3

12) chain A
residue 826
type
sequence V
description binding site for residue D68 A 1003
source : AC3

13) chain A
residue 836
type
sequence W
description binding site for residue D68 A 1003
source : AC3

14) chain A
residue 837
type
sequence A
description binding site for residue D68 A 1003
source : AC3

15) chain A
residue 840
type
sequence V
description binding site for residue D68 A 1003
source : AC3

16) chain A
residue 844
type
sequence F
description binding site for residue D68 A 1003
source : AC3

17) chain A
residue 861
type
sequence M
description binding site for residue D68 A 1003
source : AC3

18) chain A
residue 873
type
sequence G
description binding site for residue D68 A 1003
source : AC3

19) chain A
residue 874
type
sequence Q
description binding site for residue D68 A 1003
source : AC3

20) chain A
residue 876
type
sequence G
description binding site for residue D68 A 1003
source : AC3

21) chain A
residue 877
type
sequence F
description binding site for residue D68 A 1003
source : AC3

22) chain A
residue 880
type
sequence F
description binding site for residue D68 A 1003
source : AC3

23) chain A
residue 881
type
sequence V
description binding site for residue D68 A 1003
source : AC3

24) chain A
residue 673
type
sequence H
description binding site for residue ZN A 1004
source : AC4

25) chain A
residue 709
type
sequence H
description binding site for residue ZN A 1004
source : AC4

26) chain A
residue 710
type
sequence D
description binding site for residue ZN A 1004
source : AC4

27) chain A
residue 822
type
sequence D
description binding site for residue ZN A 1004
source : AC4

28) chain A
residue 710
type
sequence D
description binding site for residue MG A 1005
source : AC5

29) chain A
residue 646
type
sequence G
description binding site for residue FMT A 1006
source : AC6

30) chain A
residue 648
type
sequence S
description binding site for residue FMT A 1006
source : AC6

31) chain A
residue 651
type
sequence V
description binding site for residue FMT A 1006
source : AC6

32) chain A
residue 646
type
sequence G
description binding site for residue FMT A 1007
source : AC7

33) chain A
residue 762
type
sequence D
description binding site for residue FMT A 1007
source : AC7

34) chain A
residue 763
type
sequence G
description binding site for residue FMT A 1007
source : AC7

35) chain A
residue 689
type
sequence N
description binding site for residue FMT A 1008
source : AC8

36) chain A
residue 896
type
sequence G
description binding site for residue FMT A 1008
source : AC8

37) chain A
residue 811
type
sequence R
description binding site for residue GAI A 1010
source : AD1

38) chain A
residue 815
type
sequence E
description binding site for residue GAI A 1010
source : AD1

39) chain A
residue 644
type
sequence K
description binding site for residue GAI A 1011
source : AD2

40) chain A
residue 768
type
sequence E
description binding site for residue GAI A 1011
source : AD2

41) chain A
residue 692
type
sequence E
description binding site for residue GAI A 1012
source : AD3

42) chain B
residue 810
type
sequence H
description binding site for residue GAI A 1012
source : AD3

43) chain A
residue 691
type
sequence Y
description binding site for residue GOL B 1001
source : AD4

44) chain A
residue 694
type
sequence L
description binding site for residue GOL B 1001
source : AD4

45) chain A
residue 695
type
sequence T
description binding site for residue GOL B 1001
source : AD4

46) chain B
residue 691
type
sequence Y
description binding site for residue GOL B 1001
source : AD4

47) chain B
residue 694
type
sequence L
description binding site for residue GOL B 1001
source : AD4

48) chain B
residue 688
type
sequence G
description binding site for residue GOL B 1002
source : AD5

49) chain B
residue 689
type
sequence N
description binding site for residue GOL B 1002
source : AD5

50) chain B
residue 692
type
sequence E
description binding site for residue GOL B 1002
source : AD5

51) chain B
residue 893
type
sequence C
description binding site for residue GOL B 1002
source : AD5

52) chain B
residue 894
type
sequence L
description binding site for residue GOL B 1002
source : AD5

53) chain B
residue 895
type
sequence Q
description binding site for residue GOL B 1002
source : AD5

54) chain B
residue 896
type
sequence G
description binding site for residue GOL B 1002
source : AD5

55) chain A
residue 644
type
sequence K
description binding site for residue GOL B 1003
source : AD6

56) chain A
residue 696
type
sequence E
description binding site for residue GOL B 1003
source : AD6

57) chain B
residue 686
type
sequence Y
description binding site for residue GOL B 1003
source : AD6

58) chain B
residue 691
type
sequence Y
description binding site for residue GOL B 1003
source : AD6

59) chain B
residue 673
type
sequence H
description binding site for residue ZN B 1004
source : AD7

60) chain B
residue 709
type
sequence H
description binding site for residue ZN B 1004
source : AD7

61) chain B
residue 710
type
sequence D
description binding site for residue ZN B 1004
source : AD7

62) chain B
residue 822
type
sequence D
description binding site for residue ZN B 1004
source : AD7

63) chain B
residue 710
type
sequence D
description binding site for residue MG B 1005
source : AD8

64) chain B
residue 762
type
sequence D
description binding site for residue GAI B 1006
source : AD9

65) chain B
residue 764
type
sequence L
description binding site for residue GAI B 1006
source : AD9

66) chain B
residue 769
type
sequence R
description binding site for residue GAI B 1006
source : AD9

67) chain A
residue 686
type
sequence Y
description binding site for residue GOL B 1008
source : AE2

68) chain A
residue 691
type
sequence Y
description binding site for residue GOL B 1008
source : AE2

69) chain B
residue 644
type
sequence K
description binding site for residue GOL B 1008
source : AE2

70) chain B
residue 696
type
sequence E
description binding site for residue GOL B 1008
source : AE2

71) chain A
residue 709-720
type prosite
sequence HDLDHMGLNNSF
description PDEASE_I_1 3'5'-cyclic nucleotide phosphodiesterase domain signature. HDLdHmGlnNsF
source prosite : PS00126


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