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

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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 A:  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 A
residue 21
type
ligand
sequence K
description binding site for residue 96G A 401
source : AC1

2) chain A
residue 22
type
ligand
sequence G
description binding site for residue 96G A 401
source : AC1

3) chain A
residue 23
type
ligand
sequence R
description binding site for residue 96G A 401
source : AC1

4) chain A
residue 25
type
ligand
sequence A
description binding site for residue 96G A 401
source : AC1

5) chain A
residue 27
type
ligand
sequence G
description binding site for residue 96G A 401
source : AC1

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

7) chain A
residue 29
type
ligand
sequence G
description binding site for residue 96G A 401
source : AC1

8) chain A
residue 30
type
ligand
sequence E
description binding site for residue 96G A 401
source : AC1

9) chain A
residue 31
type
ligand
sequence L
description binding site for residue 96G A 401
source : AC1

10) chain A
residue 32
type
ligand
sequence T
description binding site for residue 96G A 401
source : AC1

11) chain A
residue 178
type
ligand
sequence T
description binding site for residue 96G A 401
source : AC1

12) chain A
residue 180
type
ligand
sequence Q
description binding site for residue 96G A 401
source : AC1

13) chain A
residue 122
type
ligand
sequence D
description binding site for residue FDP A 402
source : AC2

14) chain A
residue 123
type
ligand
sequence G
description binding site for residue FDP A 402
source : AC2

15) chain A
residue 124
type
ligand
sequence S
description binding site for residue FDP A 402
source : AC2

16) chain A
residue 125
type
ligand
sequence S
description binding site for residue FDP A 402
source : AC2

17) chain A
residue 213
type
ligand
sequence N
description binding site for residue FDP A 402
source : AC2

18) chain A
residue 216
type
ligand
sequence Y
description binding site for residue FDP A 402
source : AC2

19) chain A
residue 245
type
ligand
sequence Y
description binding site for residue FDP A 402
source : AC2

20) chain A
residue 247
type
ligand
sequence G
description binding site for residue FDP A 402
source : AC2

21) chain A
residue 248
type
ligand
sequence S
description binding site for residue FDP A 402
source : AC2

22) chain A
residue 249
type
ligand
sequence M
description binding site for residue FDP A 402
source : AC2

23) chain A
residue 265
type
ligand
sequence Y
description binding site for residue FDP A 402
source : AC2

24) chain A
residue 275
type
ligand
sequence K
description binding site for residue FDP A 402
source : AC2

25) chain A
residue 281
type
ligand
sequence E
description binding site for residue FDP A 402
source : AC2

26) chain A
residue 244
type
ligand
sequence R
description binding site for residue FDP B 402
source : AC4

27) chain A
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_A_401

28) chain A
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_A_401

29) chain A
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_A_401

30) chain A
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_A_401

31) chain A
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_A_401

32) chain A
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_A_401

33) chain A
residue 27-29
type binding
ligand 96G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide
sequence GTG
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide binding site
source pdb_hetatom : 96G_5q0c_C_401

34) chain A
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_C_401

35) chain A
residue 119
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence D
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_A_402

36) chain A
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_A_402

37) chain A
residue 213
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence N
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_A_402

38) chain A
residue 216
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_A_402

39) chain A
residue 245
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_A_402

40) chain A
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_A_402

41) chain A
residue 263
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence F
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_A_402

42) chain A
residue 265
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_A_402

43) chain A
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_A_402

44) chain A
residue 281
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence E
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_A_402

45) chain A
residue 244
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence R
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_B_402


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