eF-site ID 5q0b-ABCD
PDB Code 5q0b
Chain A, B, C, D

click to enlarge
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-(4-bromo-3-methyl-1,2-thiazol-5-yl)-3-(3-methylphenyl)sulfonylurea
Classification HYDROLASE/HYDROLASE INHIBITOR
Compound Fructose-1,6-bisphosphatase 1
Source (Q2TU34_HUMAN)
Sequence A:  DVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAV
RKAGIAHLYGIAGSTNVTGDQVKKLDVLSNDLVMNMLKSS
FATCVLVSEEDKHAIIVEPEKRGKYVVCFDPLDGSSNIDC
LVSVGTIFGIYRKKSTDEPSEKDALQPGRNLVAAGYALYG
SATMLVLAMDCGVNCFMLDPAIGEFILVDKDVKIKKKGKI
YSLNEGYAKDFDPAVTEYIQRKKFPPDNSAPYGARYVGSM
VADVHRTLVYGGIFLYPANKKSPNGKLRLLYECNPMAYVM
EKAGGMATTGKEAVLDVIPTDIHQRAPVILGSPDDVLEFL
KVYEKHS
B:  DVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAV
RKAGIAHLYGIAGKLDVLSNDLVMNMLKSSFATCVLVSEE
DKHAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSVGTIFGI
YRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLAMD
CGVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYAKD
FDPAVTEYIQRKKFPPDNSAPYGARYVGSMVADVHRTLVY
GGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMATTG
KEAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHS
C:  DVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAV
RKAGIAHLYGIAGKLDVLSNDLVMNMLKSSFATCVLVSEE
DKHAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSVGTIFGI
YRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLAMD
CGVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYAKD
FDPAVTEYIQRKKFPPDNSAPYGARYVGSMVADVHRTLVY
GGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMATTG
KEAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHS
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 96J A 401
source : AC1

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

27) chain C
residue 18
type
ligand
sequence M
description binding site for residue 96J C 401
source : AC3

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

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

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

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

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

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

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

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

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

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

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

39) chain D
residue 18
type
ligand
sequence M
description binding site for residue 96J D 401
source : AC4

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

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

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

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

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

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

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

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

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

49) chain A
residue 17-18
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence VM
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_A_401

50) chain A
residue 20-22
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence EGR
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_A_401

51) chain A
residue 24-31
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence ARGTGELT
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_A_401

52) chain A
residue 34
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence L
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_A_401

53) chain A
residue 112-113
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence KY
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_A_401

54) chain A
residue 177
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence M
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_A_401

55) chain C
residue 18
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence M
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_A_401

56) chain C
residue 26-28
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence GTG
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_A_401

57) chain A
residue 18
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence M
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_C_401

58) chain A
residue 26-28
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence GTG
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_C_401

59) chain C
residue 17-18
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence VM
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_C_401

60) chain C
residue 20-22
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence EGR
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_C_401

61) chain C
residue 24-31
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence ARGTGELT
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_C_401

62) chain C
residue 34
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence L
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_C_401

63) chain C
residue 113
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence Y
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_C_401

64) chain C
residue 177
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence M
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_C_401

65) chain B
residue 17-18
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence VM
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_B_401

66) chain B
residue 20-22
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence EGR
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_B_401

67) chain B
residue 24-31
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence ARGTGELT
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_B_401

68) chain B
residue 34
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence L
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_B_401

69) chain B
residue 113
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence Y
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_B_401

70) chain B
residue 140
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence R
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_B_401

71) chain B
residue 177
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence M
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_B_401

72) chain D
residue 18
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence M
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_B_401

73) chain D
residue 26-28
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence GTG
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_B_401

74) chain B
residue 18
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence M
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_D_401

75) chain B
residue 26-28
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence GTG
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_D_401

76) chain D
residue 17-18
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence VM
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_D_401

77) chain D
residue 20-22
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence EGR
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_D_401

78) chain D
residue 24-31
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence ARGTGELT
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_D_401

79) chain D
residue 34
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence L
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_D_401

80) chain D
residue 113
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence Y
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_D_401

81) chain D
residue 177
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence M
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_D_401


Display surface

Download
Links