eF-site ID 5q0a-A
PDB Code 5q0a
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-cyanopyrazin-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea
Classification HYDROLASE/HYDROLASE inhibitor
Compound Fructose-1,6-bisphosphatase 1
Source (Q2TU34_HUMAN)
Sequence A:  DVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAV
RKAGIAHLYGIAGVKKLDVLSNDLVMNMLKSSFATCVLVS
EEDKHAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSVGTIF
GIYRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLA
MDCGVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYA
KDFDPAVTEYIQRKKFPPDNSAPYGARYVGSMVADVHRTL
VYGGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMAT
TGKEAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHS
Description (1)  Fructose-1,6-bisphosphatase 1


Functional site

1) chain A
residue 17
type
ligand
sequence V
description binding site for residue 96D A 401
source : AC1

2) chain A
residue 18
type
ligand
sequence M
description binding site for residue 96D A 401
source : AC1

3) chain A
residue 20
type
ligand
sequence E
description binding site for residue 96D A 401
source : AC1

4) chain A
residue 21
type
ligand
sequence G
description binding site for residue 96D A 401
source : AC1

5) chain A
residue 22
type
ligand
sequence R
description binding site for residue 96D A 401
source : AC1

6) chain A
residue 24
type
ligand
sequence A
description binding site for residue 96D A 401
source : AC1

7) chain A
residue 25
type
ligand
sequence R
description binding site for residue 96D A 401
source : AC1

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

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

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

11) chain A
residue 29
type
ligand
sequence E
description binding site for residue 96D A 401
source : AC1

12) chain A
residue 30
type
ligand
sequence L
description binding site for residue 96D A 401
source : AC1

13) chain A
residue 31
type
ligand
sequence T
description binding site for residue 96D A 401
source : AC1

14) chain A
residue 34
type
ligand
sequence L
description binding site for residue 96D A 401
source : AC1

15) chain A
residue 177
type
ligand
sequence M
description binding site for residue 96D A 401
source : AC1

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

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

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

19) chain A
residue 17-18
type binding
ligand 96D: N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
sequence VM
description N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide binding site
source pdb_hetatom : 96D_5q0a_A_401

20) chain A
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_A_401

21) chain A
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_A_401

22) chain A
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_A_401

23) chain A
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_A_401

24) chain A
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_A_401

25) chain A
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_C_401

26) chain A
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_C_401


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