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

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Title Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-637
Classification HYDROLASE
Compound Phosphodiesterase
Source (Q8WQX9_9TRYP)
Sequence A:  TAITKVEREAVLVCELPSFDVTDVEFDLFRARESTDKPLD
VAAAIAYRLLLGSGLPQKFGCSDEVLLNFILQCRKKYRNV
PYHNFYHVVDVCQTIHTFLYRGNVYEKLTELECFVLLITA
LVHDLDHMGLNNSFYLKTESPLGILSSASGNTSVLEVHHC
NLAVEILSDPESDVFDGLEGAERTLAFRSMIDCVLATDMA
KHGSALEAFLASAADQSSDEAAFHRMTMEIILKAGDISNV
TKPFDISRQWAMAVTEEFYRQGDMEKERGVEVLPMFDRSK
NMELAKGQIGFIDFVAAPFFQKIVDACLQGMQWTVDRIKS
NRAQWERVLETR
B:  TAITKVEREAVLVCELPSFDVTDVEFDLFRARESTDKPLD
VAAAIAYRLLLGSGLPQKFGCSDEVLLNFILQCRKKYRNV
PYHNFYHVVDVCQTIHTFLYRGNVYEKLTELECFVLLITA
LVHDLDHMGLNNSFYLKTESPLGILSSASGNTSVLEVHHC
NLAVEILSDPESDVFDGLEGAERTLAFRSMIDCVLATDMA
KHGSALEAFLASAADQSSDEAAFHRMTMEIILKAGDISNV
TKPFDISRQWAMAVTEEFYRQGDMEKERGVEVLPMFDRSK
NMELAKGQIGFIDFVAAPFFQKIVDACLQGMQWTVDRIKS
NRAQWERVLET
Description


Functional site

1) chain A
residue 673
type
sequence H
description binding site for residue ZN A 1001
source : AC1

2) chain A
residue 709
type
sequence H
description binding site for residue ZN A 1001
source : AC1

3) chain A
residue 710
type
sequence D
description binding site for residue ZN A 1001
source : AC1

4) chain A
residue 822
type
sequence D
description binding site for residue ZN A 1001
source : AC1

5) chain A
residue 710
type
sequence D
description binding site for residue MG A 1002
source : AC2

6) chain A
residue 688
type
sequence G
description binding site for residue GAI A 1003
source : AC3

7) chain A
residue 693
type
sequence K
description binding site for residue GAI A 1003
source : AC3

8) chain A
residue 893
type
sequence C
description binding site for residue GAI A 1003
source : AC3

9) chain A
residue 894
type
sequence L
description binding site for residue GAI A 1003
source : AC3

10) chain A
residue 896
type
sequence G
description binding site for residue GAI A 1003
source : AC3

11) chain A
residue 753
type
sequence L
description binding site for residue GAI A 1004
source : AC4

12) chain A
residue 754
type
sequence S
description binding site for residue GAI A 1004
source : AC4

13) chain A
residue 759
type
sequence D
description binding site for residue GAI A 1004
source : AC4

14) chain A
residue 762
type
sequence D
description binding site for residue GAI A 1004
source : AC4

15) chain A
residue 769
type
sequence R
description binding site for residue GAI A 1004
source : AC4

16) chain A
residue 915
type
sequence L
description binding site for residue GAI A 1004
source : AC4

17) chain A
residue 639
type
sequence S
description binding site for residue GAI A 1005
source : AC5

18) chain A
residue 641
type
sequence L
description binding site for residue GAI A 1005
source : AC5

19) chain A
residue 644
type
sequence K
description binding site for residue GAI A 1005
source : AC5

20) chain A
residue 686
type
sequence Y
description binding site for residue GAI A 1005
source : AC5

21) chain B
residue 696
type
sequence E
description binding site for residue GAI A 1005
source : AC5

22) chain A
residue 686
type
sequence Y
description binding site for residue FMT A 1006
source : AC6

23) chain A
residue 689
type
sequence N
description binding site for residue FMT A 1006
source : AC6

24) chain A
residue 778
type
sequence D
description binding site for residue FMT A 1007
source : AC7

25) chain A
residue 639
type
sequence S
description binding site for residue GAI A 1008
source : AC8

26) chain A
residue 682
type
sequence H
description binding site for residue GAI A 1008
source : AC8

27) chain A
residue 686
type
sequence Y
description binding site for residue GAI A 1008
source : AC8

28) chain B
residue 644
type
sequence K
description binding site for residue GAI A 1008
source : AC8

29) chain B
residue 696
type
sequence E
description binding site for residue GAI A 1008
source : AC8

30) chain B
residue 673
type
sequence H
description binding site for residue ZN B 1001
source : AC9

31) chain B
residue 709
type
sequence H
description binding site for residue ZN B 1001
source : AC9

32) chain B
residue 710
type
sequence D
description binding site for residue ZN B 1001
source : AC9

33) chain B
residue 822
type
sequence D
description binding site for residue ZN B 1001
source : AC9

34) chain B
residue 710
type
sequence D
description binding site for residue MG B 1002
source : AD1

35) chain B
residue 688
type
sequence G
description binding site for residue GAI B 1003
source : AD2

36) chain B
residue 689
type
sequence N
description binding site for residue GAI B 1003
source : AD2

37) chain B
residue 692
type
sequence E
description binding site for residue GAI B 1003
source : AD2

38) chain B
residue 693
type
sequence K
description binding site for residue GAI B 1003
source : AD2

39) chain B
residue 894
type
sequence L
description binding site for residue GAI B 1003
source : AD2

40) chain B
residue 896
type
sequence G
description binding site for residue GAI B 1003
source : AD2

41) chain A
residue 691
type
sequence Y
description binding site for residue GAI B 1004
source : AD3

42) chain B
residue 696
type
sequence E
description binding site for residue GAI B 1004
source : AD3

43) chain B
residue 753
type
sequence L
description binding site for residue GAI B 1005
source : AD4

44) chain B
residue 754
type
sequence S
description binding site for residue GAI B 1005
source : AD4

45) chain B
residue 755
type
sequence D
description binding site for residue GAI B 1005
source : AD4

46) chain B
residue 756
type
sequence P
description binding site for residue GAI B 1005
source : AD4

47) chain B
residue 759
type
sequence D
description binding site for residue GAI B 1005
source : AD4

48) chain B
residue 762
type
sequence D
description binding site for residue GAI B 1005
source : AD4

49) chain B
residue 785
type
sequence M
description binding site for residue E3Q B 1006
source : AD5

50) chain B
residue 825
type
sequence N
description binding site for residue E3Q B 1006
source : AD5

51) chain B
residue 840
type
sequence V
description binding site for residue E3Q B 1006
source : AD5

52) chain B
residue 841
type
sequence T
description binding site for residue E3Q B 1006
source : AD5

53) chain B
residue 861
type
sequence M
description binding site for residue E3Q B 1006
source : AD5

54) chain B
residue 870
type
sequence L
description binding site for residue E3Q B 1006
source : AD5

55) chain B
residue 873
type
sequence G
description binding site for residue E3Q B 1006
source : AD5

56) chain B
residue 874
type
sequence Q
description binding site for residue E3Q B 1006
source : AD5

57) chain B
residue 877
type
sequence F
description binding site for residue E3Q B 1006
source : AD5

58) 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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