eF-site ID 5q0c-F
PDB Code 5q0c
Chain F

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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-bromo-1,3-thiazol-2-yl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylurea and with fructose-2,6-diphosphate
Classification HYDROLASE/HYDROLASE INHIBITOR
Compound Fructose-1,6-bisphosphatase isozyme 2
Source (F16P2_HUMAN)
Sequence F:  TDMLTLTRYVMEKGRQAKGTGELTQLLNSMLTAIKAISSA
VRKAGLAHLYGIAGSVNVTGDEVKKLDVLSNSLVINMLQS
SYSTCVLVSEENKDAIITAKEKRGKYVVCFDPLDGSSNID
CLASIGTIFAIYRKTSEDEPSEKDALQCGRNIVAAGYALY
GSATLVALSTGQGVDLFMLDPALGEFVLVEKDVKIKKKGK
IYSLNEGYAKYFDAATTEYVQKKKFPEDGSAPYGARYVGS
MVADVHRTLVYGGIFLYPANQKSPKGKLRLLYECNPVAYI
IEQAGGLATTGTQPVLDVKPEAIHQRVPLILGSPEDVQEY
LTCVQKNQ
Description (1)  Fructose-1,6-bisphosphatase isozyme 2 (E.C.3.1.3.11)


Functional site

1) chain F
residue 244
type
ligand
sequence R
description binding site for residue FDP E 402
source : AD1

2) chain F
residue 19
type
ligand
sequence M
description binding site for residue 96G F 401
source : AD2

3) chain F
residue 21
type
ligand
sequence K
description binding site for residue 96G F 401
source : AD2

4) chain F
residue 22
type
ligand
sequence G
description binding site for residue 96G F 401
source : AD2

5) chain F
residue 23
type
ligand
sequence R
description binding site for residue 96G F 401
source : AD2

6) chain F
residue 25
type
ligand
sequence A
description binding site for residue 96G F 401
source : AD2

7) chain F
residue 27
type
ligand
sequence G
description binding site for residue 96G F 401
source : AD2

8) chain F
residue 28
type
ligand
sequence T
description binding site for residue 96G F 401
source : AD2

9) chain F
residue 29
type
ligand
sequence G
description binding site for residue 96G F 401
source : AD2

10) chain F
residue 30
type
ligand
sequence E
description binding site for residue 96G F 401
source : AD2

11) chain F
residue 31
type
ligand
sequence L
description binding site for residue 96G F 401
source : AD2

12) chain F
residue 32
type
ligand
sequence T
description binding site for residue 96G F 401
source : AD2

13) chain F
residue 178
type
ligand
sequence T
description binding site for residue 96G F 401
source : AD2

14) chain F
residue 180
type
ligand
sequence Q
description binding site for residue 96G F 401
source : AD2

15) chain F
residue 122
type
ligand
sequence D
description binding site for residue FDP F 402
source : AD3

16) chain F
residue 123
type
ligand
sequence G
description binding site for residue FDP F 402
source : AD3

17) chain F
residue 124
type
ligand
sequence S
description binding site for residue FDP F 402
source : AD3

18) chain F
residue 125
type
ligand
sequence S
description binding site for residue FDP F 402
source : AD3

19) chain F
residue 213
type
ligand
sequence N
description binding site for residue FDP F 402
source : AD3

20) chain F
residue 216
type
ligand
sequence Y
description binding site for residue FDP F 402
source : AD3

21) chain F
residue 245
type
ligand
sequence Y
description binding site for residue FDP F 402
source : AD3

22) chain F
residue 247
type
ligand
sequence G
description binding site for residue FDP F 402
source : AD3

23) chain F
residue 248
type
ligand
sequence S
description binding site for residue FDP F 402
source : AD3

24) chain F
residue 249
type
ligand
sequence M
description binding site for residue FDP F 402
source : AD3

25) chain F
residue 265
type
ligand
sequence Y
description binding site for residue FDP F 402
source : AD3

26) chain F
residue 275
type
ligand
sequence K
description binding site for residue FDP F 402
source : AD3

27) chain F
residue 281
type
ligand
sequence E
description binding site for residue FDP F 402
source : AD3

28) chain F
residue 244
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence R
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_E_402

29) chain F
residue 119
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence D
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_F_402

30) chain F
residue 122-126
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence DGSSN
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_F_402

31) chain F
residue 213
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence N
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_F_402

32) chain F
residue 216
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_F_402

33) chain F
residue 245
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_F_402

34) chain F
residue 247-249
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence GSM
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_F_402

35) chain F
residue 252
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence D
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_F_402

36) chain F
residue 263
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence F
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_F_402

37) chain F
residue 265
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_F_402

38) chain F
residue 275-276
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence KL
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_F_402

39) chain F
residue 281
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence E
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_F_402

40) chain F
residue 18-19
type binding
ligand 96G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide
sequence VM
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide binding site
source pdb_hetatom : 96G_5q0c_F_401

41) chain F
residue 21-23
type binding
ligand 96G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide
sequence KGR
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide binding site
source pdb_hetatom : 96G_5q0c_F_401

42) chain F
residue 25-32
type binding
ligand 96G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide
sequence AKGTGELT
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide binding site
source pdb_hetatom : 96G_5q0c_F_401

43) chain F
residue 114
type binding
ligand 96G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide
sequence Y
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide binding site
source pdb_hetatom : 96G_5q0c_F_401

44) chain F
residue 178
type binding
ligand 96G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide
sequence T
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide binding site
source pdb_hetatom : 96G_5q0c_F_401

45) chain F
residue 180
type binding
ligand 96G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide
sequence Q
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide binding site
source pdb_hetatom : 96G_5q0c_F_401

46) chain F
residue 28-29
type binding
ligand 96G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide
sequence TG
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide binding site
source pdb_hetatom : 96G_5q0c_H_401

47) chain F
residue 32-33
type binding
ligand 96G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide
sequence TQ
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide binding site
source pdb_hetatom : 96G_5q0c_H_401


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