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

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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 G:  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 G
residue 21
type
ligand
sequence K
description binding site for residue 96G G 401
source : AD4

2) chain G
residue 22
type
ligand
sequence G
description binding site for residue 96G G 401
source : AD4

3) chain G
residue 23
type
ligand
sequence R
description binding site for residue 96G G 401
source : AD4

4) chain G
residue 25
type
ligand
sequence A
description binding site for residue 96G G 401
source : AD4

5) chain G
residue 27
type
ligand
sequence G
description binding site for residue 96G G 401
source : AD4

6) chain G
residue 29
type
ligand
sequence G
description binding site for residue 96G G 401
source : AD4

7) chain G
residue 30
type
ligand
sequence E
description binding site for residue 96G G 401
source : AD4

8) chain G
residue 31
type
ligand
sequence L
description binding site for residue 96G G 401
source : AD4

9) chain G
residue 32
type
ligand
sequence T
description binding site for residue 96G G 401
source : AD4

10) chain G
residue 180
type
ligand
sequence Q
description binding site for residue 96G G 401
source : AD4

11) chain G
residue 122
type
ligand
sequence D
description binding site for residue FDP G 402
source : AD5

12) chain G
residue 123
type
ligand
sequence G
description binding site for residue FDP G 402
source : AD5

13) chain G
residue 124
type
ligand
sequence S
description binding site for residue FDP G 402
source : AD5

14) chain G
residue 125
type
ligand
sequence S
description binding site for residue FDP G 402
source : AD5

15) chain G
residue 213
type
ligand
sequence N
description binding site for residue FDP G 402
source : AD5

16) chain G
residue 216
type
ligand
sequence Y
description binding site for residue FDP G 402
source : AD5

17) chain G
residue 245
type
ligand
sequence Y
description binding site for residue FDP G 402
source : AD5

18) chain G
residue 247
type
ligand
sequence G
description binding site for residue FDP G 402
source : AD5

19) chain G
residue 248
type
ligand
sequence S
description binding site for residue FDP G 402
source : AD5

20) chain G
residue 249
type
ligand
sequence M
description binding site for residue FDP G 402
source : AD5

21) chain G
residue 265
type
ligand
sequence Y
description binding site for residue FDP G 402
source : AD5

22) chain G
residue 275
type
ligand
sequence K
description binding site for residue FDP G 402
source : AD5

23) chain G
residue 281
type
ligand
sequence E
description binding site for residue FDP G 402
source : AD5

24) chain G
residue 244
type
ligand
sequence R
description binding site for residue FDP H 402
source : AD7

25) chain G
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_E_401

26) chain G
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_E_401

27) chain G
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_G_401

28) chain G
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_G_401

29) chain G
residue 25-33
type binding
ligand 96G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide
sequence AKGTGELTQ
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide binding site
source pdb_hetatom : 96G_5q0c_G_401

30) chain G
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_G_401

31) chain G
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_G_401

32) chain G
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_G_401

33) chain G
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_G_402

34) chain G
residue 213
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence N
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_G_402

35) chain G
residue 216
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_G_402

36) chain G
residue 245
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_G_402

37) chain G
residue 247-250
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence GSMV
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_G_402

38) chain G
residue 263
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence F
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_G_402

39) chain G
residue 265
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_G_402

40) chain G
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_G_402

41) chain G
residue 281
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence E
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_G_402

42) chain G
residue 244
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence R
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_H_402


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