eF-site ID 6gxq-B
PDB Code 6gxq
Chain B

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Title Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1335
Classification HYDROLASE
Compound Phosphodiesterase
Source (Q8WQX9_9TRYP)
Sequence B:  VTAITKVEREAVLVCELPSFDVTDVEFDLFRARESTDKPL
DVAAAIAYRLLLGSGLPQKFGCSDEVLLNFILQCRKKYRN
VPYHNFYHVVDVCQTIHTFLYRGNVYEKLTELECFVLLIT
ALVHDLDHMGLNNSFYLKTESPLGILSSASGNTSVLEVHH
CNLAVEILSDPESDVFDGLEGAERTLAFRSMIDCVLATDM
AKHGSALEAFLASAADQSSDEAAFHRMTMEIILKAGDISN
VTKPFDISRQWAMAVTEEFYRQGDMEKERGVEVLPMFDRS
KNMELAKGQIGFIDFVAAPFFQKIVDACLQGMQWTVDRIK
SNRAQWERVLET
Description


Functional site

1) chain B
residue 849
type
sequence D
description binding site for residue GOL A 1007
source : AC7

2) chain B
residue 864
type
sequence R
description binding site for residue GOL A 1007
source : AC7

3) chain B
residue 686
type
sequence Y
description binding site for residue GAI B 1001
source : AC8

4) chain B
residue 691
type
sequence Y
description binding site for residue GAI B 1001
source : AC8

5) chain B
residue 710
type
sequence D
description binding site for residue MG B 1002
source : AC9

6) chain B
residue 673
type
sequence H
description binding site for residue ZN B 1003
source : AD1

7) chain B
residue 709
type
sequence H
description binding site for residue ZN B 1003
source : AD1

8) chain B
residue 710
type
sequence D
description binding site for residue ZN B 1003
source : AD1

9) chain B
residue 822
type
sequence D
description binding site for residue ZN B 1003
source : AD1

10) chain B
residue 688
type
sequence G
description binding site for residue GOL B 1004
source : AD2

11) chain B
residue 689
type
sequence N
description binding site for residue GOL B 1004
source : AD2

12) chain B
residue 693
type
sequence K
description binding site for residue GOL B 1004
source : AD2

13) chain B
residue 894
type
sequence L
description binding site for residue GOL B 1004
source : AD2

14) chain B
residue 896
type
sequence G
description binding site for residue GOL B 1004
source : AD2

15) chain B
residue 691
type
sequence Y
description binding site for residue GOL B 1006
source : AD3

16) chain B
residue 694
type
sequence L
description binding site for residue GOL B 1006
source : AD3

17) chain B
residue 695
type
sequence T
description binding site for residue GOL B 1006
source : AD3


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