eF-site ID 5pzu-ABCD
PDB Code 5pzu
Chain A, B, C, D

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Title Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor [5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid
Classification HYDROLASE/HYDROLASE INHIBITOR
Compound Fructose-1,6-bisphosphatase 1
Source (Q2TU34_HUMAN)
Sequence A:  DVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAV
RKAGIAHLYGIAGVKKLDVLSNDLVMNMLKSSFATCVLVS
EEDKHAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSVGTIF
GIYRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLA
MDCGVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYA
KDFDPAVTEYIQRKKFPPDNSAPYGARYVGSMVADVHRTL
VYGGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMAT
TGKEAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHS
B:  DVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAV
RKAGIAHLYGIAGKLDVLSNDLVMNMLKSSFATCVLVSEE
DKHAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSVGTIFGI
YRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLAMD
CGVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYAKD
FDPAVTEYIQRKKFPPDNSAPYGARYVGSMVADVHRTLVY
GGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMATTG
KEAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHS
C:  DVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAV
RKAGIAHLYGIAGKKLDVLSNDLVMNMLKSSFATCVLVSE
EDKHAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSVGTIFG
IYRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLAM
DCGVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYAK
DFDPAVTEYIQRKKFPPDNSAPYGARYVGSMVADVHRTLV
YGGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMATT
GKEAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHS
D:  DVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAV
RKAGIAHLYGIAGKLDVLSNDLVMNMLKSSFATCVLVSEE
DKHAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSVGTIFGI
YRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLAMD
CGVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYAKD
FDPAVTEYIQRKKFPPDNSAPYGARYVGSMVADVHRTLVY
GGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMATTG
KEAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHS
Description (1)  Fructose-1,6-bisphosphatase 1


Functional site

1) chain A
residue 17
type
ligand
sequence V
description binding site for residue 94D A 401
source : AC1

2) chain A
residue 20
type
ligand
sequence E
description binding site for residue 94D A 401
source : AC1

3) chain A
residue 21
type
ligand
sequence G
description binding site for residue 94D A 401
source : AC1

4) chain A
residue 26
type
ligand
sequence G
description binding site for residue 94D A 401
source : AC1

5) chain A
residue 27
type
ligand
sequence T
description binding site for residue 94D A 401
source : AC1

6) chain A
residue 28
type
ligand
sequence G
description binding site for residue 94D A 401
source : AC1

7) chain A
residue 29
type
ligand
sequence E
description binding site for residue 94D A 401
source : AC1

8) chain A
residue 30
type
ligand
sequence L
description binding site for residue 94D A 401
source : AC1

9) chain A
residue 31
type
ligand
sequence T
description binding site for residue 94D A 401
source : AC1

10) chain A
residue 112
type
ligand
sequence K
description binding site for residue 94D A 401
source : AC1

11) chain A
residue 113
type
ligand
sequence Y
description binding site for residue 94D A 401
source : AC1

12) chain A
residue 140
type
ligand
sequence R
description binding site for residue 94D A 401
source : AC1

13) chain A
residue 160
type
ligand
sequence V
description binding site for residue 94D A 401
source : AC1

14) chain B
residue 17
type
ligand
sequence V
description binding site for residue 94D B 401
source : AC2

15) chain B
residue 21
type
ligand
sequence G
description binding site for residue 94D B 401
source : AC2

16) chain B
residue 26
type
ligand
sequence G
description binding site for residue 94D B 401
source : AC2

17) chain B
residue 27
type
ligand
sequence T
description binding site for residue 94D B 401
source : AC2

18) chain B
residue 28
type
ligand
sequence G
description binding site for residue 94D B 401
source : AC2

19) chain B
residue 29
type
ligand
sequence E
description binding site for residue 94D B 401
source : AC2

20) chain B
residue 30
type
ligand
sequence L
description binding site for residue 94D B 401
source : AC2

21) chain B
residue 31
type
ligand
sequence T
description binding site for residue 94D B 401
source : AC2

22) chain B
residue 112
type
ligand
sequence K
description binding site for residue 94D B 401
source : AC2

23) chain B
residue 113
type
ligand
sequence Y
description binding site for residue 94D B 401
source : AC2

24) chain B
residue 140
type
ligand
sequence R
description binding site for residue 94D B 401
source : AC2

25) chain B
residue 177
type
ligand
sequence M
description binding site for residue 94D B 401
source : AC2

26) chain C
residue 17
type
ligand
sequence V
description binding site for residue 94D C 401
source : AC3

27) chain C
residue 20
type
ligand
sequence E
description binding site for residue 94D C 401
source : AC3

28) chain C
residue 21
type
ligand
sequence G
description binding site for residue 94D C 401
source : AC3

29) chain C
residue 26
type
ligand
sequence G
description binding site for residue 94D C 401
source : AC3

30) chain C
residue 27
type
ligand
sequence T
description binding site for residue 94D C 401
source : AC3

31) chain C
residue 28
type
ligand
sequence G
description binding site for residue 94D C 401
source : AC3

32) chain C
residue 29
type
ligand
sequence E
description binding site for residue 94D C 401
source : AC3

33) chain C
residue 30
type
ligand
sequence L
description binding site for residue 94D C 401
source : AC3

34) chain C
residue 31
type
ligand
sequence T
description binding site for residue 94D C 401
source : AC3

35) chain C
residue 112
type
ligand
sequence K
description binding site for residue 94D C 401
source : AC3

36) chain C
residue 113
type
ligand
sequence Y
description binding site for residue 94D C 401
source : AC3

37) chain C
residue 160
type
ligand
sequence V
description binding site for residue 94D C 401
source : AC3

38) chain D
residue 17
type
ligand
sequence V
description binding site for residue 94D D 401
source : AC4

39) chain D
residue 20
type
ligand
sequence E
description binding site for residue 94D D 401
source : AC4

40) chain D
residue 21
type
ligand
sequence G
description binding site for residue 94D D 401
source : AC4

41) chain D
residue 26
type
ligand
sequence G
description binding site for residue 94D D 401
source : AC4

42) chain D
residue 27
type
ligand
sequence T
description binding site for residue 94D D 401
source : AC4

43) chain D
residue 28
type
ligand
sequence G
description binding site for residue 94D D 401
source : AC4

44) chain D
residue 29
type
ligand
sequence E
description binding site for residue 94D D 401
source : AC4

45) chain D
residue 30
type
ligand
sequence L
description binding site for residue 94D D 401
source : AC4

46) chain D
residue 31
type
ligand
sequence T
description binding site for residue 94D D 401
source : AC4

47) chain D
residue 112
type
ligand
sequence K
description binding site for residue 94D D 401
source : AC4

48) chain D
residue 113
type
ligand
sequence Y
description binding site for residue 94D D 401
source : AC4

49) chain D
residue 140
type
ligand
sequence R
description binding site for residue 94D D 401
source : AC4

50) chain A
residue 17-18
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence VM
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_A_401

51) chain A
residue 20-21
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence EG
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_A_401

52) chain A
residue 24
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence A
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_A_401

53) chain A
residue 26-31
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence GTGELT
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_A_401

54) chain A
residue 34
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence L
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_A_401

55) chain A
residue 112-113
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence KY
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_A_401

56) chain A
residue 140
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence R
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_A_401

57) chain A
residue 160
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence V
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_A_401

58) chain A
residue 177-178
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence MD
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_A_401

59) chain B
residue 17-18
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence VM
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_B_401

60) chain B
residue 20-21
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence EG
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_B_401

61) chain B
residue 24
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence A
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_B_401

62) chain B
residue 26-31
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence GTGELT
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_B_401

63) chain B
residue 34
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence L
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_B_401

64) chain B
residue 112-113
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence KY
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_B_401

65) chain B
residue 140
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence R
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_B_401

66) chain B
residue 160
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence V
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_B_401

67) chain B
residue 177-178
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence MD
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_B_401

68) chain C
residue 17-18
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence VM
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_C_401

69) chain C
residue 20-21
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence EG
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_C_401

70) chain C
residue 24
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence A
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_C_401

71) chain C
residue 26-31
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence GTGELT
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_C_401

72) chain C
residue 34
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence L
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_C_401

73) chain C
residue 112-113
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence KY
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_C_401

74) chain C
residue 140
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence R
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_C_401

75) chain C
residue 160
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence V
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_C_401

76) chain C
residue 177-178
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence MD
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_C_401

77) chain D
residue 17-18
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence VM
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_D_401

78) chain D
residue 20-21
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence EG
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_D_401

79) chain D
residue 24
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence A
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_D_401

80) chain D
residue 26-31
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence GTGELT
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_D_401

81) chain D
residue 34
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence L
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_D_401

82) chain D
residue 112-113
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence KY
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_D_401

83) chain D
residue 140
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence R
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_D_401

84) chain D
residue 160
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence V
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_D_401

85) chain D
residue 177-178
type binding
ligand 94D: {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
sequence MD
description {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid binding site
source pdb_hetatom : 94D_5pzu_D_401


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