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

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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 B:  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 B
residue 244
type
ligand
sequence R
description binding site for residue FDP A 402
source : AC2

2) chain B
residue 19
type
ligand
sequence M
description binding site for residue 96G B 401
source : AC3

3) chain B
residue 21
type
ligand
sequence K
description binding site for residue 96G B 401
source : AC3

4) chain B
residue 22
type
ligand
sequence G
description binding site for residue 96G B 401
source : AC3

5) chain B
residue 23
type
ligand
sequence R
description binding site for residue 96G B 401
source : AC3

6) chain B
residue 25
type
ligand
sequence A
description binding site for residue 96G B 401
source : AC3

7) chain B
residue 27
type
ligand
sequence G
description binding site for residue 96G B 401
source : AC3

8) chain B
residue 28
type
ligand
sequence T
description binding site for residue 96G B 401
source : AC3

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

10) chain B
residue 30
type
ligand
sequence E
description binding site for residue 96G B 401
source : AC3

11) chain B
residue 31
type
ligand
sequence L
description binding site for residue 96G B 401
source : AC3

12) chain B
residue 32
type
ligand
sequence T
description binding site for residue 96G B 401
source : AC3

13) chain B
residue 178
type
ligand
sequence T
description binding site for residue 96G B 401
source : AC3

14) chain B
residue 180
type
ligand
sequence Q
description binding site for residue 96G B 401
source : AC3

15) chain B
residue 122
type
ligand
sequence D
description binding site for residue FDP B 402
source : AC4

16) chain B
residue 123
type
ligand
sequence G
description binding site for residue FDP B 402
source : AC4

17) chain B
residue 124
type
ligand
sequence S
description binding site for residue FDP B 402
source : AC4

18) chain B
residue 125
type
ligand
sequence S
description binding site for residue FDP B 402
source : AC4

19) chain B
residue 213
type
ligand
sequence N
description binding site for residue FDP B 402
source : AC4

20) chain B
residue 216
type
ligand
sequence Y
description binding site for residue FDP B 402
source : AC4

21) chain B
residue 245
type
ligand
sequence Y
description binding site for residue FDP B 402
source : AC4

22) chain B
residue 247
type
ligand
sequence G
description binding site for residue FDP B 402
source : AC4

23) chain B
residue 248
type
ligand
sequence S
description binding site for residue FDP B 402
source : AC4

24) chain B
residue 249
type
ligand
sequence M
description binding site for residue FDP B 402
source : AC4

25) chain B
residue 265
type
ligand
sequence Y
description binding site for residue FDP B 402
source : AC4

26) chain B
residue 275
type
ligand
sequence K
description binding site for residue FDP B 402
source : AC4

27) chain B
residue 281
type
ligand
sequence E
description binding site for residue FDP B 402
source : AC4

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

29) chain B
residue 244
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence R
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_A_402

30) chain B
residue 119
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence D
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_B_402

31) chain B
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_B_402

32) chain B
residue 213
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence N
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_B_402

33) chain B
residue 216
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_B_402

34) chain B
residue 245
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_B_402

35) chain B
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_B_402

36) chain B
residue 263
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence F
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_B_402

37) chain B
residue 265
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence Y
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_B_402

38) chain B
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_B_402

39) chain B
residue 281
type binding
ligand FDP: FRUCTOSE-2,6-DIPHOSPHATE
sequence E
description FRUCTOSE-2,6-DIPHOSPHATE binding site
source pdb_hetatom : FDP_5q0c_B_402

40) chain B
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_B_401

41) chain B
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_B_401

42) chain B
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_B_401

43) chain B
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_B_401

44) chain B
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_B_401

45) chain B
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_D_401

46) chain B
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_D_401


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