eF-site ID 5pzs-ABCD
PDB Code 5pzs
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-(3-chlorophenyl)sulfonyl-3-[6-[(3-chlorophenyl)sulfonylcarbamoylamino]hexyl]urea
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 93Y A 401
source : AC1

2) chain A
residue 18
type
ligand
sequence M
description binding site for residue 93Y A 401
source : AC1

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

4) chain A
residue 22
type
ligand
sequence R
description binding site for residue 93Y A 401
source : AC1

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

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

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

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

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

10) chain A
residue 31
type
ligand
sequence T
description binding site for residue 93Y A 401
source : AC1

11) chain C
residue 17
type
ligand
sequence V
description binding site for residue 93Y A 401
source : AC1

12) chain C
residue 21
type
ligand
sequence G
description binding site for residue 93Y A 401
source : AC1

13) chain C
residue 22
type
ligand
sequence R
description binding site for residue 93Y A 401
source : AC1

14) chain C
residue 26
type
ligand
sequence G
description binding site for residue 93Y A 401
source : AC1

15) chain C
residue 27
type
ligand
sequence T
description binding site for residue 93Y A 401
source : AC1

16) chain C
residue 28
type
ligand
sequence G
description binding site for residue 93Y A 401
source : AC1

17) chain C
residue 29
type
ligand
sequence E
description binding site for residue 93Y A 401
source : AC1

18) chain C
residue 30
type
ligand
sequence L
description binding site for residue 93Y A 401
source : AC1

19) chain C
residue 31
type
ligand
sequence T
description binding site for residue 93Y A 401
source : AC1

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

21) chain B
residue 18
type
ligand
sequence M
description binding site for residue 93Y B 401
source : AC2

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

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

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

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

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

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

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

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

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

31) chain D
residue 21
type
ligand
sequence G
description binding site for residue 93Y B 401
source : AC2

32) chain D
residue 22
type
ligand
sequence R
description binding site for residue 93Y B 401
source : AC2

33) chain D
residue 26
type
ligand
sequence G
description binding site for residue 93Y B 401
source : AC2

34) chain D
residue 27
type
ligand
sequence T
description binding site for residue 93Y B 401
source : AC2

35) chain D
residue 28
type
ligand
sequence G
description binding site for residue 93Y B 401
source : AC2

36) chain D
residue 29
type
ligand
sequence E
description binding site for residue 93Y B 401
source : AC2

37) chain D
residue 30
type
ligand
sequence L
description binding site for residue 93Y B 401
source : AC2

38) chain D
residue 31
type
ligand
sequence T
description binding site for residue 93Y B 401
source : AC2

39) chain D
residue 177
type
ligand
sequence M
description binding site for residue 93Y B 401
source : AC2

40) chain A
residue 17-18
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence VM
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_A_401

41) chain A
residue 20-22
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence EGR
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_A_401

42) chain A
residue 24-31
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence ARGTGELT
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_A_401

43) chain A
residue 34
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence L
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_A_401

44) chain A
residue 113
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence Y
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_A_401

45) chain A
residue 177
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence M
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_A_401

46) chain C
residue 17-18
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence VM
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_A_401

47) chain C
residue 20-22
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence EGR
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_A_401

48) chain C
residue 24
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence A
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_A_401

49) chain C
residue 26-31
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence GTGELT
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_A_401

50) chain C
residue 34
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence L
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_A_401

51) chain C
residue 113
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence Y
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_A_401

52) chain C
residue 177
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence M
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_A_401

53) chain B
residue 17-18
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence VM
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_B_401

54) chain B
residue 20-22
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence EGR
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_B_401

55) chain B
residue 24
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence A
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_B_401

56) chain B
residue 26-31
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence GTGELT
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_B_401

57) chain B
residue 34
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence L
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_B_401

58) chain B
residue 113
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence Y
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_B_401

59) chain B
residue 177
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence M
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_B_401

60) chain D
residue 17-18
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence VM
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_B_401

61) chain D
residue 20-22
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence EGR
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_B_401

62) chain D
residue 24
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence A
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_B_401

63) chain D
residue 26-32
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence GTGELTQ
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_B_401

64) chain D
residue 34
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence L
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_B_401

65) chain D
residue 113
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence Y
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_B_401

66) chain D
residue 177
type binding
ligand 93Y: N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
sequence M
description N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) binding site
source pdb_hetatom : 93Y_5pzs_B_401


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