eF-site ID 4m5l-A
PDB Code 4m5l
Chain A

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Title The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase
Classification TRANSFERASE/TRANSFERASE INHIBITOR
Compound 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
Source Escherichia coli (strain K12) (HPPK_ECOLI)
Sequence A:  MTVAYIAIGSNLASPLEQVNAALKALGDIPESHILTVSSF
YRTPPLGPQDQPDYLNAAVALETSLAPEELLNHTQRIELQ
QGRVRKAERWGPRTLDLDIMLFGNEVINTERLTVPHYDMK
NRGFMLWPLFEIAPELVFPDGEMLRQILHTRAFDKLNKW
Description


Functional site

1) chain A
residue 74
type
sequence Q
description BINDING SITE FOR RESIDUE APC A 301
source : AC1

2) chain A
residue 82
type
sequence R
description BINDING SITE FOR RESIDUE APC A 301
source : AC1

3) chain A
residue 84
type
sequence R
description BINDING SITE FOR RESIDUE APC A 301
source : AC1

4) chain A
residue 89
type
sequence W
description BINDING SITE FOR RESIDUE APC A 301
source : AC1

5) chain A
residue 92
type
sequence R
description BINDING SITE FOR RESIDUE APC A 301
source : AC1

6) chain A
residue 95
type
sequence D
description BINDING SITE FOR RESIDUE APC A 301
source : AC1

7) chain A
residue 97
type
sequence D
description BINDING SITE FOR RESIDUE APC A 301
source : AC1

8) chain A
residue 98
type
sequence I
description BINDING SITE FOR RESIDUE APC A 301
source : AC1

9) chain A
residue 110
type
sequence R
description BINDING SITE FOR RESIDUE APC A 301
source : AC1

10) chain A
residue 111
type
sequence L
description BINDING SITE FOR RESIDUE APC A 301
source : AC1

11) chain A
residue 112
type
sequence T
description BINDING SITE FOR RESIDUE APC A 301
source : AC1

12) chain A
residue 115
type
sequence H
description BINDING SITE FOR RESIDUE APC A 301
source : AC1

13) chain A
residue 116
type
sequence Y
description BINDING SITE FOR RESIDUE APC A 301
source : AC1

14) chain A
residue 121
type
sequence R
description BINDING SITE FOR RESIDUE APC A 301
source : AC1

15) chain A
residue 145
type
sequence Q
description BINDING SITE FOR RESIDUE APC A 301
source : AC1

16) chain A
residue 148
type
sequence H
description BINDING SITE FOR RESIDUE APC A 301
source : AC1

17) chain A
residue 95
type
sequence D
description BINDING SITE FOR RESIDUE CA A 302
source : AC2

18) chain A
residue 97
type
sequence D
description BINDING SITE FOR RESIDUE CA A 302
source : AC2

19) chain A
residue 95
type
sequence D
description BINDING SITE FOR RESIDUE CA A 303
source : AC3

20) chain A
residue 97
type
sequence D
description BINDING SITE FOR RESIDUE CA A 303
source : AC3

21) chain A
residue 26
type
sequence G
description BINDING SITE FOR RESIDUE CA A 304
source : AC4

22) chain A
residue 28
type
sequence I
description BINDING SITE FOR RESIDUE CA A 304
source : AC4

23) chain A
residue 31
type
sequence S
description BINDING SITE FOR RESIDUE CA A 304
source : AC4

24) chain A
residue 115
type
sequence H
description BINDING SITE FOR RESIDUE GOL A 305
source : AC5

25) chain A
residue 116
type
sequence Y
description BINDING SITE FOR RESIDUE GOL A 305
source : AC5

26) chain A
residue 42
type
sequence T
description BINDING SITE FOR RESIDUE YH4 A 306
source : AC6

27) chain A
residue 43
type
sequence P
description BINDING SITE FOR RESIDUE YH4 A 306
source : AC6

28) chain A
residue 44
type
sequence P
description BINDING SITE FOR RESIDUE YH4 A 306
source : AC6

29) chain A
residue 45
type
sequence L
description BINDING SITE FOR RESIDUE YH4 A 306
source : AC6

30) chain A
residue 53
type
sequence Y
description BINDING SITE FOR RESIDUE YH4 A 306
source : AC6

31) chain A
residue 55
type
sequence N
description BINDING SITE FOR RESIDUE YH4 A 306
source : AC6

32) chain A
residue 89
type
sequence W
description BINDING SITE FOR RESIDUE YH4 A 306
source : AC6

33) chain A
residue 121
type
sequence R
description BINDING SITE FOR RESIDUE YH4 A 306
source : AC6

34) chain A
residue 123
type
sequence F
description BINDING SITE FOR RESIDUE YH4 A 306
source : AC6

35) chain A
residue 82
type catalytic
sequence R
description 151
source MCSA : MCSA1

36) chain A
residue 92
type catalytic
sequence R
description 151
source MCSA : MCSA1

37) chain A
residue 95
type catalytic
sequence D
description 151
source MCSA : MCSA1

38) chain A
residue 97
type catalytic
sequence D
description 151
source MCSA : MCSA1

39) chain A
residue 88-99
type prosite
sequence RWGPRTLDLDIM
description HPPK 7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase signature. RwGPRtlDLDIM
source prosite : PS00794


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