eF-site ID 5q0a-C
PDB Code 5q0a
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-cyanopyrazin-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea
Classification HYDROLASE/HYDROLASE inhibitor
Compound Fructose-1,6-bisphosphatase 1
Source (Q2TU34_HUMAN)
Sequence C:  DVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAV
RKAGIAHLYGIAGKKLDVLSNDLVMNMLKSSFATCVLVSE
EDKHAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSVGTIFG
IYRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLAM
DCGVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYAK
DFDPAVTEYIQRKKFPPDNSAPYGARYVGSMVADVHRTLV
YGGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMATT
GKEAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHS
Description (1)  Fructose-1,6-bisphosphatase 1


Functional site

1) chain C
residue 26
type
ligand
sequence G
description binding site for residue 96D A 401
source : AC1

2) chain C
residue 27
type
ligand
sequence T
description binding site for residue 96D A 401
source : AC1

3) chain C
residue 28
type
ligand
sequence G
description binding site for residue 96D A 401
source : AC1

4) chain C
residue 17
type
ligand
sequence V
description binding site for residue 96D C 401
source : AC3

5) chain C
residue 20
type
ligand
sequence E
description binding site for residue 96D C 401
source : AC3

6) chain C
residue 21
type
ligand
sequence G
description binding site for residue 96D C 401
source : AC3

7) chain C
residue 22
type
ligand
sequence R
description binding site for residue 96D C 401
source : AC3

8) chain C
residue 24
type
ligand
sequence A
description binding site for residue 96D C 401
source : AC3

9) chain C
residue 26
type
ligand
sequence G
description binding site for residue 96D C 401
source : AC3

10) chain C
residue 27
type
ligand
sequence T
description binding site for residue 96D C 401
source : AC3

11) chain C
residue 28
type
ligand
sequence G
description binding site for residue 96D C 401
source : AC3

12) chain C
residue 29
type
ligand
sequence E
description binding site for residue 96D C 401
source : AC3

13) chain C
residue 30
type
ligand
sequence L
description binding site for residue 96D C 401
source : AC3

14) chain C
residue 31
type
ligand
sequence T
description binding site for residue 96D C 401
source : AC3

15) chain C
residue 34
type
ligand
sequence L
description binding site for residue 96D C 401
source : AC3

16) chain C
residue 18
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence M
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_A_401

17) chain C
residue 26-28
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence GTG
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_A_401

18) chain C
residue 16-18
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence FVM
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_C_401

19) chain C
residue 20-22
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence EGR
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_C_401

20) chain C
residue 24-31
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence ARGTGELT
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_C_401

21) chain C
residue 34
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence L
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_C_401

22) chain C
residue 113
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence Y
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_C_401

23) chain C
residue 177
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence M
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_C_401


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