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

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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 E:  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 E
residue 19
type
ligand
sequence M
description binding site for residue 96G E 401
source : AC9

2) chain E
residue 21
type
ligand
sequence K
description binding site for residue 96G E 401
source : AC9

3) chain E
residue 22
type
ligand
sequence G
description binding site for residue 96G E 401
source : AC9

4) chain E
residue 23
type
ligand
sequence R
description binding site for residue 96G E 401
source : AC9

5) chain E
residue 25
type
ligand
sequence A
description binding site for residue 96G E 401
source : AC9

6) chain E
residue 27
type
ligand
sequence G
description binding site for residue 96G E 401
source : AC9

7) chain E
residue 29
type
ligand
sequence G
description binding site for residue 96G E 401
source : AC9

8) chain E
residue 30
type
ligand
sequence E
description binding site for residue 96G E 401
source : AC9

9) chain E
residue 31
type
ligand
sequence L
description binding site for residue 96G E 401
source : AC9

10) chain E
residue 32
type
ligand
sequence T
description binding site for residue 96G E 401
source : AC9

11) chain E
residue 178
type
ligand
sequence T
description binding site for residue 96G E 401
source : AC9

12) chain E
residue 180
type
ligand
sequence Q
description binding site for residue 96G E 401
source : AC9

13) chain E
residue 122
type
ligand
sequence D
description binding site for residue FDP E 402
source : AD1

14) chain E
residue 123
type
ligand
sequence G
description binding site for residue FDP E 402
source : AD1

15) chain E
residue 124
type
ligand
sequence S
description binding site for residue FDP E 402
source : AD1

16) chain E
residue 125
type
ligand
sequence S
description binding site for residue FDP E 402
source : AD1

17) chain E
residue 213
type
ligand
sequence N
description binding site for residue FDP E 402
source : AD1

18) chain E
residue 216
type
ligand
sequence Y
description binding site for residue FDP E 402
source : AD1

19) chain E
residue 245
type
ligand
sequence Y
description binding site for residue FDP E 402
source : AD1

20) chain E
residue 247
type
ligand
sequence G
description binding site for residue FDP E 402
source : AD1

21) chain E
residue 248
type
ligand
sequence S
description binding site for residue FDP E 402
source : AD1

22) chain E
residue 249
type
ligand
sequence M
description binding site for residue FDP E 402
source : AD1

23) chain E
residue 265
type
ligand
sequence Y
description binding site for residue FDP E 402
source : AD1

24) chain E
residue 275
type
ligand
sequence K
description binding site for residue FDP E 402
source : AD1

25) chain E
residue 281
type
ligand
sequence E
description binding site for residue FDP E 402
source : AD1

26) chain E
residue 244
type
ligand
sequence R
description binding site for residue FDP F 402
source : AD3

27) chain E
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_E_401

28) chain E
residue 21-32
type binding
ligand 96G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide
sequence KGRQAKGTGELT
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

29) chain E
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_E_401

30) chain E
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_E_401

31) chain E
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_E_401

32) chain E
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_G_401

33) chain E
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_G_401

34) chain E
residue 119
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence D
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_E_402

35) chain E
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_E_402

36) chain E
residue 213
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence N
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_E_402

37) chain E
residue 216
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_E_402

38) chain E
residue 245
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_E_402

39) chain E
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_E_402

40) chain E
residue 263
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence F
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_E_402

41) chain E
residue 265
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_E_402

42) chain E
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_E_402

43) chain E
residue 281
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence E
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_E_402

44) chain E
residue 244
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence R
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_F_402


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