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

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

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

3) chain C
residue 21
type
ligand
sequence K
description binding site for residue 96G C 401
source : AC5

4) chain C
residue 22
type
ligand
sequence G
description binding site for residue 96G C 401
source : AC5

5) chain C
residue 23
type
ligand
sequence R
description binding site for residue 96G C 401
source : AC5

6) chain C
residue 25
type
ligand
sequence A
description binding site for residue 96G C 401
source : AC5

7) chain C
residue 27
type
ligand
sequence G
description binding site for residue 96G C 401
source : AC5

8) chain C
residue 28
type
ligand
sequence T
description binding site for residue 96G C 401
source : AC5

9) chain C
residue 29
type
ligand
sequence G
description binding site for residue 96G C 401
source : AC5

10) chain C
residue 30
type
ligand
sequence E
description binding site for residue 96G C 401
source : AC5

11) chain C
residue 31
type
ligand
sequence L
description binding site for residue 96G C 401
source : AC5

12) chain C
residue 32
type
ligand
sequence T
description binding site for residue 96G C 401
source : AC5

13) chain C
residue 178
type
ligand
sequence T
description binding site for residue 96G C 401
source : AC5

14) chain C
residue 180
type
ligand
sequence Q
description binding site for residue 96G C 401
source : AC5

15) chain C
residue 122
type
ligand
sequence D
description binding site for residue FDP C 402
source : AC6

16) chain C
residue 123
type
ligand
sequence G
description binding site for residue FDP C 402
source : AC6

17) chain C
residue 124
type
ligand
sequence S
description binding site for residue FDP C 402
source : AC6

18) chain C
residue 125
type
ligand
sequence S
description binding site for residue FDP C 402
source : AC6

19) chain C
residue 213
type
ligand
sequence N
description binding site for residue FDP C 402
source : AC6

20) chain C
residue 216
type
ligand
sequence Y
description binding site for residue FDP C 402
source : AC6

21) chain C
residue 245
type
ligand
sequence Y
description binding site for residue FDP C 402
source : AC6

22) chain C
residue 247
type
ligand
sequence G
description binding site for residue FDP C 402
source : AC6

23) chain C
residue 248
type
ligand
sequence S
description binding site for residue FDP C 402
source : AC6

24) chain C
residue 249
type
ligand
sequence M
description binding site for residue FDP C 402
source : AC6

25) chain C
residue 265
type
ligand
sequence Y
description binding site for residue FDP C 402
source : AC6

26) chain C
residue 275
type
ligand
sequence K
description binding site for residue FDP C 402
source : AC6

27) chain C
residue 281
type
ligand
sequence E
description binding site for residue FDP C 402
source : AC6

28) chain C
residue 244
type
ligand
sequence R
description binding site for residue FDP D 402
source : AC8

29) chain C
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_A_401

30) chain C
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_A_401

31) chain C
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_C_401

32) chain C
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_C_401

33) chain C
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_C_401

34) chain C
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_C_401

35) chain C
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_C_401

36) chain C
residue 119
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence D
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_C_402

37) chain C
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_C_402

38) chain C
residue 213
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence N
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_C_402

39) chain C
residue 216
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_C_402

40) chain C
residue 245
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_C_402

41) chain C
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_C_402

42) chain C
residue 263
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence F
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_C_402

43) chain C
residue 265
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_C_402

44) chain C
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_C_402

45) chain C
residue 281
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence E
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_C_402

46) chain C
residue 244
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence R
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_D_402


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