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

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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 D:  TDMLTLTRYVMEKGRQAKGTGELTQLLNSMLTAIKAISSA
VRKAGLAHLYGIAGSVNVKLDVLSNSLVINMLQSSYSTCV
LVSEENKDAIITAKEKRGKYVVCFDPLDGSSNIDCLASIG
TIFAIYRKTSEDEPSEKDALQCGRNIVAAGYALYGSATLV
ALSTGQGVDLFMLDPALGEFVLVEKDVKIKKKGKIYSLNE
GYAKYFDAATTEYVQKKKFPEDGSAPYGARYVGSMVADVH
RTLVYGGIFLYPANQKSPKGKLRLLYECNPVAYIIEQAGG
LATTGTQPVLDVKPEAIHQRVPLILGSPEDVQEYLTCVQK
NQ
Description (1)  Fructose-1,6-bisphosphatase isozyme 2 (E.C.3.1.3.11)


Functional site

1) chain D
residue 29
type
ligand
sequence G
description binding site for residue 96G B 401
source : AC3

2) chain D
residue 244
type
ligand
sequence R
description binding site for residue FDP C 402
source : AC6

3) chain D
residue 21
type
ligand
sequence K
description binding site for residue 96G D 401
source : AC7

4) chain D
residue 22
type
ligand
sequence G
description binding site for residue 96G D 401
source : AC7

5) chain D
residue 23
type
ligand
sequence R
description binding site for residue 96G D 401
source : AC7

6) chain D
residue 25
type
ligand
sequence A
description binding site for residue 96G D 401
source : AC7

7) chain D
residue 27
type
ligand
sequence G
description binding site for residue 96G D 401
source : AC7

8) chain D
residue 28
type
ligand
sequence T
description binding site for residue 96G D 401
source : AC7

9) chain D
residue 29
type
ligand
sequence G
description binding site for residue 96G D 401
source : AC7

10) chain D
residue 30
type
ligand
sequence E
description binding site for residue 96G D 401
source : AC7

11) chain D
residue 31
type
ligand
sequence L
description binding site for residue 96G D 401
source : AC7

12) chain D
residue 32
type
ligand
sequence T
description binding site for residue 96G D 401
source : AC7

13) chain D
residue 178
type
ligand
sequence T
description binding site for residue 96G D 401
source : AC7

14) chain D
residue 180
type
ligand
sequence Q
description binding site for residue 96G D 401
source : AC7

15) chain D
residue 122
type
ligand
sequence D
description binding site for residue FDP D 402
source : AC8

16) chain D
residue 123
type
ligand
sequence G
description binding site for residue FDP D 402
source : AC8

17) chain D
residue 124
type
ligand
sequence S
description binding site for residue FDP D 402
source : AC8

18) chain D
residue 125
type
ligand
sequence S
description binding site for residue FDP D 402
source : AC8

19) chain D
residue 213
type
ligand
sequence N
description binding site for residue FDP D 402
source : AC8

20) chain D
residue 216
type
ligand
sequence Y
description binding site for residue FDP D 402
source : AC8

21) chain D
residue 245
type
ligand
sequence Y
description binding site for residue FDP D 402
source : AC8

22) chain D
residue 247
type
ligand
sequence G
description binding site for residue FDP D 402
source : AC8

23) chain D
residue 248
type
ligand
sequence S
description binding site for residue FDP D 402
source : AC8

24) chain D
residue 249
type
ligand
sequence M
description binding site for residue FDP D 402
source : AC8

25) chain D
residue 265
type
ligand
sequence Y
description binding site for residue FDP D 402
source : AC8

26) chain D
residue 275
type
ligand
sequence K
description binding site for residue FDP D 402
source : AC8

27) chain D
residue 281
type
ligand
sequence E
description binding site for residue FDP D 402
source : AC8

28) chain D
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_B_401

29) chain D
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_B_401

30) chain D
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_D_401

31) chain D
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_D_401

32) chain D
residue 25
type binding
ligand 96G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide
sequence A
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide binding site
source pdb_hetatom : 96G_5q0c_D_401

33) chain D
residue 27-32
type binding
ligand 96G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide
sequence GTGELT
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide binding site
source pdb_hetatom : 96G_5q0c_D_401

34) chain D
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_D_401

35) chain D
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_D_401

36) chain D
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_D_401

37) chain D
residue 244
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence R
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_C_402

38) chain D
residue 119
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence D
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_D_402

39) chain D
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_D_402

40) chain D
residue 213
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence N
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_D_402

41) chain D
residue 216
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_D_402

42) chain D
residue 245
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_D_402

43) chain D
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_D_402

44) chain D
residue 263
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence F
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_D_402

45) chain D
residue 265
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_D_402

46) chain D
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_D_402

47) chain D
residue 281
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence E
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_D_402


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