eF-site ID 5pzq-ABCD
PDB Code 5pzq
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 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
Classification HYDROLASE/HYDROLASE inhibitor
Compound Fructose-1,6-bisphosphatase 1
Source (Q2TU34_HUMAN)
Sequence A:  DVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAV
RKAGIAHLYGIAGKKLDVLSNDLVMNMLKSSFATCVLVSE
EDKHAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSVGTIFG
IYRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLAM
DCGVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYAK
DFDPAVTEYIQRKKFPPDNSAPYGARYVGSMVADVHRTLV
YGGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMATT
GKEAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHS
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 93V A 401
source : AC1

2) chain A
residue 20
type
ligand
sequence E
description binding site for residue 93V A 401
source : AC1

3) chain A
residue 21
type
ligand
sequence G
description binding site for residue 93V A 401
source : AC1

4) chain A
residue 24
type
ligand
sequence A
description binding site for residue 93V A 401
source : AC1

5) chain A
residue 26
type
ligand
sequence G
description binding site for residue 93V A 401
source : AC1

6) chain A
residue 27
type
ligand
sequence T
description binding site for residue 93V A 401
source : AC1

7) chain A
residue 28
type
ligand
sequence G
description binding site for residue 93V A 401
source : AC1

8) chain A
residue 29
type
ligand
sequence E
description binding site for residue 93V A 401
source : AC1

9) chain A
residue 30
type
ligand
sequence L
description binding site for residue 93V A 401
source : AC1

10) chain A
residue 34
type
ligand
sequence L
description binding site for residue 93V A 401
source : AC1

11) chain A
residue 112
type
ligand
sequence K
description binding site for residue 93V A 401
source : AC1

12) chain A
residue 113
type
ligand
sequence Y
description binding site for residue 93V A 401
source : AC1

13) chain A
residue 140
type
ligand
sequence R
description binding site for residue 93V A 401
source : AC1

14) chain A
residue 25
type
ligand
sequence R
description binding site for residue 93V B 401
source : AC2

15) chain B
residue 17
type
ligand
sequence V
description binding site for residue 93V B 401
source : AC2

16) chain B
residue 20
type
ligand
sequence E
description binding site for residue 93V B 401
source : AC2

17) chain B
residue 21
type
ligand
sequence G
description binding site for residue 93V B 401
source : AC2

18) chain B
residue 24
type
ligand
sequence A
description binding site for residue 93V B 401
source : AC2

19) chain B
residue 26
type
ligand
sequence G
description binding site for residue 93V B 401
source : AC2

20) chain B
residue 27
type
ligand
sequence T
description binding site for residue 93V B 401
source : AC2

21) chain B
residue 28
type
ligand
sequence G
description binding site for residue 93V B 401
source : AC2

22) chain B
residue 29
type
ligand
sequence E
description binding site for residue 93V B 401
source : AC2

23) chain B
residue 30
type
ligand
sequence L
description binding site for residue 93V B 401
source : AC2

24) chain B
residue 31
type
ligand
sequence T
description binding site for residue 93V B 401
source : AC2

25) chain B
residue 112
type
ligand
sequence K
description binding site for residue 93V B 401
source : AC2

26) chain B
residue 113
type
ligand
sequence Y
description binding site for residue 93V B 401
source : AC2

27) chain C
residue 20
type
ligand
sequence E
description binding site for residue 93V C 401
source : AC3

28) chain C
residue 21
type
ligand
sequence G
description binding site for residue 93V C 401
source : AC3

29) chain C
residue 24
type
ligand
sequence A
description binding site for residue 93V C 401
source : AC3

30) chain C
residue 26
type
ligand
sequence G
description binding site for residue 93V C 401
source : AC3

31) chain C
residue 27
type
ligand
sequence T
description binding site for residue 93V C 401
source : AC3

32) chain C
residue 28
type
ligand
sequence G
description binding site for residue 93V C 401
source : AC3

33) chain C
residue 29
type
ligand
sequence E
description binding site for residue 93V C 401
source : AC3

34) chain C
residue 30
type
ligand
sequence L
description binding site for residue 93V C 401
source : AC3

35) chain C
residue 31
type
ligand
sequence T
description binding site for residue 93V C 401
source : AC3

36) chain C
residue 34
type
ligand
sequence L
description binding site for residue 93V C 401
source : AC3

37) chain C
residue 112
type
ligand
sequence K
description binding site for residue 93V C 401
source : AC3

38) chain C
residue 113
type
ligand
sequence Y
description binding site for residue 93V C 401
source : AC3

39) chain C
residue 140
type
ligand
sequence R
description binding site for residue 93V C 401
source : AC3

40) chain C
residue 177
type
ligand
sequence M
description binding site for residue 93V C 401
source : AC3

41) chain D
residue 26
type
ligand
sequence G
description binding site for residue 93V C 401
source : AC3

42) chain D
residue 17
type
ligand
sequence V
description binding site for residue 93V D 401
source : AC4

43) chain D
residue 20
type
ligand
sequence E
description binding site for residue 93V D 401
source : AC4

44) chain D
residue 21
type
ligand
sequence G
description binding site for residue 93V D 401
source : AC4

45) chain D
residue 24
type
ligand
sequence A
description binding site for residue 93V D 401
source : AC4

46) chain D
residue 26
type
ligand
sequence G
description binding site for residue 93V D 401
source : AC4

47) chain D
residue 27
type
ligand
sequence T
description binding site for residue 93V D 401
source : AC4

48) chain D
residue 28
type
ligand
sequence G
description binding site for residue 93V D 401
source : AC4

49) chain D
residue 29
type
ligand
sequence E
description binding site for residue 93V D 401
source : AC4

50) chain D
residue 30
type
ligand
sequence L
description binding site for residue 93V D 401
source : AC4

51) chain D
residue 31
type
ligand
sequence T
description binding site for residue 93V D 401
source : AC4

52) chain D
residue 34
type
ligand
sequence L
description binding site for residue 93V D 401
source : AC4

53) chain D
residue 112
type
ligand
sequence K
description binding site for residue 93V D 401
source : AC4

54) chain D
residue 113
type
ligand
sequence Y
description binding site for residue 93V D 401
source : AC4

55) chain D
residue 177
type
ligand
sequence M
description binding site for residue 93V D 401
source : AC4

56) chain A
residue 17
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence V
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_A_401

57) chain A
residue 20-21
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence EG
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_A_401

58) chain A
residue 24
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence A
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_A_401

59) chain A
residue 26-31
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence GTGELT
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_A_401

60) chain A
residue 34
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence L
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_A_401

61) chain A
residue 112-113
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence KY
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_A_401

62) chain A
residue 140
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence R
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_A_401

63) chain A
residue 177
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence M
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_A_401

64) chain B
residue 17
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence V
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_B_401

65) chain B
residue 20-21
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence EG
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_B_401

66) chain B
residue 24
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence A
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_B_401

67) chain B
residue 26-31
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence GTGELT
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_B_401

68) chain B
residue 34
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence L
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_B_401

69) chain B
residue 112-113
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence KY
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_B_401

70) chain B
residue 140
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence R
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_B_401

71) chain B
residue 177
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence M
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_B_401

72) chain C
residue 17
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence V
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_C_401

73) chain C
residue 20-21
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence EG
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_C_401

74) chain C
residue 24
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence A
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_C_401

75) chain C
residue 26-31
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence GTGELT
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_C_401

76) chain C
residue 34
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence L
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_C_401

77) chain C
residue 112-113
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence KY
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_C_401

78) chain C
residue 140
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence R
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_C_401

79) chain C
residue 177
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence M
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_C_401

80) chain D
residue 17
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence V
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_D_401

81) chain D
residue 20-21
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence EG
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_D_401

82) chain D
residue 24
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence A
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_D_401

83) chain D
residue 26-31
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence GTGELT
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_D_401

84) chain D
residue 34
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence L
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_D_401

85) chain D
residue 112-113
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence KY
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_D_401

86) chain D
residue 140
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence R
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_D_401

87) chain D
residue 177
type binding
ligand 93V: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
sequence M
description 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid binding site
source pdb_hetatom : 93V_5pzq_D_401


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