eF-site ID 5q0a-ABCD
PDB Code 5q0a
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 1-(5-cyanopyrazin-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea
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 96D A 401
source : AC1

2) chain A
residue 18
type
ligand
sequence M
description binding site for residue 96D A 401
source : AC1

3) chain A
residue 20
type
ligand
sequence E
description binding site for residue 96D A 401
source : AC1

4) chain A
residue 21
type
ligand
sequence G
description binding site for residue 96D A 401
source : AC1

5) chain A
residue 22
type
ligand
sequence R
description binding site for residue 96D A 401
source : AC1

6) chain A
residue 24
type
ligand
sequence A
description binding site for residue 96D A 401
source : AC1

7) chain A
residue 25
type
ligand
sequence R
description binding site for residue 96D A 401
source : AC1

8) chain A
residue 26
type
ligand
sequence G
description binding site for residue 96D A 401
source : AC1

9) chain A
residue 27
type
ligand
sequence T
description binding site for residue 96D A 401
source : AC1

10) chain A
residue 28
type
ligand
sequence G
description binding site for residue 96D A 401
source : AC1

11) chain A
residue 29
type
ligand
sequence E
description binding site for residue 96D A 401
source : AC1

12) chain A
residue 30
type
ligand
sequence L
description binding site for residue 96D A 401
source : AC1

13) chain A
residue 31
type
ligand
sequence T
description binding site for residue 96D A 401
source : AC1

14) chain A
residue 34
type
ligand
sequence L
description binding site for residue 96D A 401
source : AC1

15) chain A
residue 177
type
ligand
sequence M
description binding site for residue 96D A 401
source : AC1

16) chain C
residue 26
type
ligand
sequence G
description binding site for residue 96D A 401
source : AC1

17) chain C
residue 27
type
ligand
sequence T
description binding site for residue 96D A 401
source : AC1

18) chain C
residue 28
type
ligand
sequence G
description binding site for residue 96D A 401
source : AC1

19) chain B
residue 17
type
ligand
sequence V
description binding site for residue 96D B 401
source : AC2

20) chain B
residue 18
type
ligand
sequence M
description binding site for residue 96D B 401
source : AC2

21) chain B
residue 20
type
ligand
sequence E
description binding site for residue 96D B 401
source : AC2

22) chain B
residue 21
type
ligand
sequence G
description binding site for residue 96D B 401
source : AC2

23) chain B
residue 22
type
ligand
sequence R
description binding site for residue 96D B 401
source : AC2

24) chain B
residue 24
type
ligand
sequence A
description binding site for residue 96D B 401
source : AC2

25) chain B
residue 26
type
ligand
sequence G
description binding site for residue 96D B 401
source : AC2

26) chain B
residue 27
type
ligand
sequence T
description binding site for residue 96D B 401
source : AC2

27) chain B
residue 28
type
ligand
sequence G
description binding site for residue 96D B 401
source : AC2

28) chain B
residue 29
type
ligand
sequence E
description binding site for residue 96D B 401
source : AC2

29) chain B
residue 30
type
ligand
sequence L
description binding site for residue 96D B 401
source : AC2

30) chain B
residue 31
type
ligand
sequence T
description binding site for residue 96D B 401
source : AC2

31) chain B
residue 34
type
ligand
sequence L
description binding site for residue 96D B 401
source : AC2

32) chain D
residue 26
type
ligand
sequence G
description binding site for residue 96D B 401
source : AC2

33) chain D
residue 27
type
ligand
sequence T
description binding site for residue 96D B 401
source : AC2

34) chain D
residue 28
type
ligand
sequence G
description binding site for residue 96D B 401
source : AC2

35) chain A
residue 26
type
ligand
sequence G
description binding site for residue 96D C 401
source : AC3

36) chain A
residue 27
type
ligand
sequence T
description binding site for residue 96D C 401
source : AC3

37) chain A
residue 28
type
ligand
sequence G
description binding site for residue 96D C 401
source : AC3

38) chain C
residue 17
type
ligand
sequence V
description binding site for residue 96D C 401
source : AC3

39) chain C
residue 20
type
ligand
sequence E
description binding site for residue 96D C 401
source : AC3

40) chain C
residue 21
type
ligand
sequence G
description binding site for residue 96D C 401
source : AC3

41) chain C
residue 22
type
ligand
sequence R
description binding site for residue 96D C 401
source : AC3

42) chain C
residue 24
type
ligand
sequence A
description binding site for residue 96D C 401
source : AC3

43) chain C
residue 26
type
ligand
sequence G
description binding site for residue 96D C 401
source : AC3

44) chain C
residue 27
type
ligand
sequence T
description binding site for residue 96D C 401
source : AC3

45) chain C
residue 28
type
ligand
sequence G
description binding site for residue 96D C 401
source : AC3

46) chain C
residue 29
type
ligand
sequence E
description binding site for residue 96D C 401
source : AC3

47) chain C
residue 30
type
ligand
sequence L
description binding site for residue 96D C 401
source : AC3

48) chain C
residue 31
type
ligand
sequence T
description binding site for residue 96D C 401
source : AC3

49) chain C
residue 34
type
ligand
sequence L
description binding site for residue 96D C 401
source : AC3

50) chain B
residue 26
type
ligand
sequence G
description binding site for residue 96D D 401
source : AC4

51) chain B
residue 27
type
ligand
sequence T
description binding site for residue 96D D 401
source : AC4

52) chain B
residue 28
type
ligand
sequence G
description binding site for residue 96D D 401
source : AC4

53) chain D
residue 17
type
ligand
sequence V
description binding site for residue 96D D 401
source : AC4

54) chain D
residue 20
type
ligand
sequence E
description binding site for residue 96D D 401
source : AC4

55) chain D
residue 21
type
ligand
sequence G
description binding site for residue 96D D 401
source : AC4

56) chain D
residue 22
type
ligand
sequence R
description binding site for residue 96D D 401
source : AC4

57) chain D
residue 24
type
ligand
sequence A
description binding site for residue 96D D 401
source : AC4

58) chain D
residue 25
type
ligand
sequence R
description binding site for residue 96D D 401
source : AC4

59) chain D
residue 26
type
ligand
sequence G
description binding site for residue 96D D 401
source : AC4

60) chain D
residue 27
type
ligand
sequence T
description binding site for residue 96D D 401
source : AC4

61) chain D
residue 28
type
ligand
sequence G
description binding site for residue 96D D 401
source : AC4

62) chain D
residue 29
type
ligand
sequence E
description binding site for residue 96D D 401
source : AC4

63) chain D
residue 30
type
ligand
sequence L
description binding site for residue 96D D 401
source : AC4

64) chain D
residue 31
type
ligand
sequence T
description binding site for residue 96D D 401
source : AC4

65) chain D
residue 34
type
ligand
sequence L
description binding site for residue 96D D 401
source : AC4

66) chain D
residue 177
type
ligand
sequence M
description binding site for residue 96D D 401
source : AC4

67) chain A
residue 17-18
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence VM
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_A_401

68) chain A
residue 20-22
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence EGR
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_A_401

69) chain A
residue 24-31
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence ARGTGELT
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_A_401

70) chain A
residue 34
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence L
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_A_401

71) chain A
residue 113
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence Y
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_A_401

72) chain A
residue 177
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence M
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_A_401

73) chain C
residue 18
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence M
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_A_401

74) chain C
residue 26-28
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence GTG
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_A_401

75) chain A
residue 18
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence M
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_C_401

76) chain A
residue 26-28
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence GTG
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_C_401

77) chain C
residue 16-18
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence FVM
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_C_401

78) chain C
residue 20-22
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence EGR
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_C_401

79) chain C
residue 24-31
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence ARGTGELT
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_C_401

80) chain C
residue 34
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence L
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_C_401

81) chain C
residue 113
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence Y
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_C_401

82) chain C
residue 177
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence M
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_C_401

83) chain B
residue 17-18
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence VM
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_B_401

84) chain B
residue 20-22
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence EGR
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_B_401

85) chain B
residue 24-31
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence ARGTGELT
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_B_401

86) chain B
residue 34
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence L
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_B_401

87) chain B
residue 113
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence Y
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_B_401

88) chain B
residue 177
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence M
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_B_401

89) chain D
residue 18
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence M
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_B_401

90) chain D
residue 26-28
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence GTG
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_B_401

91) chain B
residue 18
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence M
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_D_401

92) chain B
residue 26-28
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence GTG
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_D_401

93) chain D
residue 16-18
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence FVM
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_D_401

94) chain D
residue 20-22
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence EGR
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_D_401

95) chain D
residue 24-31
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence ARGTGELT
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_D_401

96) chain D
residue 34
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence L
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_D_401

97) chain D
residue 113
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence Y
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_D_401

98) chain D
residue 177
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence M
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_D_401


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