eF-site ID 4rlt-A
PDB Code 4rlt
Chain A

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Title Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium tuberculosis complexed with Fisetin
Classification LYASE/LYASE INHIBITOR
Compound (3R)-hydroxyacyl-ACP dehydratase subunit HadA
Source Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (I6WYY7_MYCTU)
Sequence A:  VALSADIVGMHYRYPDHYEVEREKIREYAVAVQNDDAWYF
EEDGAAELGYKGLLAPLTFICVFGYKAQAAFFKHANIATA
EAQIVQVDQVLKFEKPIVAGDKLYCDVYVDSVREAHGTQI
IVTKNIVTNEEGDLVQETYTTLAGRAGGEGFSDGA
Description


Functional site

1) chain A
residue 60
type
sequence I
description BINDING SITE FOR RESIDUE FSE A 201
source : AC1

2) chain A
residue 61
type
sequence C
description BINDING SITE FOR RESIDUE FSE A 201
source : AC1

3) chain A
residue 64
type
sequence G
description BINDING SITE FOR RESIDUE FSE A 201
source : AC1

4) chain A
residue 68
type
sequence Q
description BINDING SITE FOR RESIDUE FSE A 201
source : AC1

5) chain A
residue 86
type
sequence Q
description BINDING SITE FOR RESIDUE FSE A 201
source : AC1

6) chain A
residue 89
type
sequence Q
description BINDING SITE FOR RESIDUE FSE A 201
source : AC1

7) chain A
residue 91
type
sequence L
description BINDING SITE FOR RESIDUE FSE A 201
source : AC1

8) chain A
residue 125
type
sequence N
description BINDING SITE FOR RESIDUE FSE A 201
source : AC1

9) chain A
residue 140
type
sequence T
description BINDING SITE FOR RESIDUE FSE A 201
source : AC1

10) chain A
residue 142
type
sequence L
description BINDING SITE FOR RESIDUE FSE A 201
source : AC1

11) chain A
residue 55
type
sequence A
description BINDING SITE FOR RESIDUE GOL A 202
source : AC2

12) chain A
residue 56
type
sequence P
description BINDING SITE FOR RESIDUE GOL A 202
source : AC2

13) chain A
residue 93
type
sequence F
description BINDING SITE FOR RESIDUE GOL A 202
source : AC2

14) chain A
residue 95
type
sequence K
description BINDING SITE FOR RESIDUE GOL A 202
source : AC2

15) chain A
residue 96
type
sequence P
description BINDING SITE FOR RESIDUE GOL A 202
source : AC2

16) chain A
residue 97
type
sequence I
description BINDING SITE FOR RESIDUE GOL A 202
source : AC2

17) chain A
residue 13
type
sequence R
description BINDING SITE FOR RESIDUE GOL B 201
source : AC3

18) chain A
residue 104
type
sequence Y
description BINDING SITE FOR RESIDUE GOL B 201
source : AC3

19) chain A
residue 128
type
sequence T
description BINDING SITE FOR RESIDUE GOL B 201
source : AC3

20) chain A
residue 129
type
sequence N
description BINDING SITE FOR RESIDUE GOL B 201
source : AC3

21) chain A
residue 130
type
sequence E
description BINDING SITE FOR RESIDUE GOL B 201
source : AC3


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