eF-site ID 5q03-C
PDB Code 5q03
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-(2-methylpropyl)thiophen-2-yl]sulfonylurea
Classification HYDROLASE/HYDROLASE INHIBITOR
Compound Fructose-1,6-bisphosphatase 1
Source (Q2TU34_HUMAN)
Sequence C:  DVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAV
RKAGIAHLYGIAGKLDVLSNDLVMNMLKSSFATCVLVSEE
DKHAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSVGTIFGI
YRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLAMD
CGVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYAKD
FDPAVTEYIQRKKFPPDNSAPYGARYVGSMVADVHRTLVY
GGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMATTG
KEAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHS
Description (1)  Fructose-1,6-bisphosphatase 1


Functional site

1) chain C
residue 18
type
ligand
sequence M
description binding site for residue 95M C 401
source : AC3

2) chain C
residue 20
type
ligand
sequence E
description binding site for residue 95M C 401
source : AC3

3) chain C
residue 21
type
ligand
sequence G
description binding site for residue 95M C 401
source : AC3

4) chain C
residue 22
type
ligand
sequence R
description binding site for residue 95M C 401
source : AC3

5) chain C
residue 26
type
ligand
sequence G
description binding site for residue 95M C 401
source : AC3

6) chain C
residue 27
type
ligand
sequence T
description binding site for residue 95M C 401
source : AC3

7) chain C
residue 28
type
ligand
sequence G
description binding site for residue 95M C 401
source : AC3

8) chain C
residue 29
type
ligand
sequence E
description binding site for residue 95M C 401
source : AC3

9) chain C
residue 30
type
ligand
sequence L
description binding site for residue 95M C 401
source : AC3

10) chain C
residue 31
type
ligand
sequence T
description binding site for residue 95M C 401
source : AC3

11) chain C
residue 177
type
ligand
sequence M
description binding site for residue 95M C 401
source : AC3

12) chain C
residue 27-28
type binding
ligand 95M: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
sequence TG
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide binding site
source pdb_hetatom : 95M_5q03_A_401

13) chain C
residue 31-32
type binding
ligand 95M: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
sequence TQ
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide binding site
source pdb_hetatom : 95M_5q03_A_401

14) chain C
residue 17-18
type binding
ligand 95M: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
sequence VM
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide binding site
source pdb_hetatom : 95M_5q03_C_401

15) chain C
residue 20-22
type binding
ligand 95M: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
sequence EGR
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide binding site
source pdb_hetatom : 95M_5q03_C_401

16) chain C
residue 24-31
type binding
ligand 95M: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
sequence ARGTGELT
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide binding site
source pdb_hetatom : 95M_5q03_C_401

17) chain C
residue 113
type binding
ligand 95M: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
sequence Y
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide binding site
source pdb_hetatom : 95M_5q03_C_401

18) chain C
residue 177
type binding
ligand 95M: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
sequence M
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide binding site
source pdb_hetatom : 95M_5q03_C_401

19) chain C
residue 179
type binding
ligand 95M: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
sequence C
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide binding site
source pdb_hetatom : 95M_5q03_C_401


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