eF-site ID 5q01-D
PDB Code 5q01
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-[4-(4,5-dichloro-2-methylpyrazol-3-yl)oxyphenyl]sulfonylurea
Classification HYDROLASE/HYDROLASE INHIBITOR
Compound Fructose-1,6-bisphosphatase 1
Source (Q2TU34_HUMAN)
Sequence D:  DVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAV
RKAGIAHLYGIAGKLDVLSNDLVMNMLKSSFATCVLVSEE
DKHAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSVGTIFGI
YRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLAMD
CGVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYAKD
FDPAVTEYIQRKKFPPDNSAPYGARYVGSMVADVHRTLVY
GGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMATTG
KEAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHS
Description (1)  Fructose-1,6-bisphosphatase 1


Functional site

1) chain D
residue 27
type
ligand
sequence T
description binding site for residue 95G B 401
source : AC2

2) chain D
residue 20
type
ligand
sequence E
description binding site for residue 95G D 401
source : AC4

3) chain D
residue 21
type
ligand
sequence G
description binding site for residue 95G D 401
source : AC4

4) chain D
residue 26
type
ligand
sequence G
description binding site for residue 95G D 401
source : AC4

5) chain D
residue 28
type
ligand
sequence G
description binding site for residue 95G D 401
source : AC4

6) chain D
residue 30
type
ligand
sequence L
description binding site for residue 95G D 401
source : AC4

7) chain D
residue 31
type
ligand
sequence T
description binding site for residue 95G D 401
source : AC4

8) chain D
residue 161
type
ligand
sequence A
description binding site for residue 95G D 401
source : AC4

9) chain D
residue 175
type
ligand
sequence L
description binding site for residue 95G D 401
source : AC4

10) chain D
residue 177
type
ligand
sequence M
description binding site for residue 95G D 401
source : AC4

11) chain D
residue 27-28
type binding
ligand 95G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide
sequence TG
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide binding site
source pdb_hetatom : 95G_5q01_B_401

12) chain D
residue 31-32
type binding
ligand 95G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide
sequence TQ
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide binding site
source pdb_hetatom : 95G_5q01_B_401

13) chain D
residue 16-18
type binding
ligand 95G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide
sequence FVM
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide binding site
source pdb_hetatom : 95G_5q01_D_401

14) chain D
residue 20-22
type binding
ligand 95G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide
sequence EGR
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide binding site
source pdb_hetatom : 95G_5q01_D_401

15) chain D
residue 24-31
type binding
ligand 95G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide
sequence ARGTGELT
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide binding site
source pdb_hetatom : 95G_5q01_D_401

16) chain D
residue 34
type binding
ligand 95G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide
sequence L
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide binding site
source pdb_hetatom : 95G_5q01_D_401

17) chain D
residue 113
type binding
ligand 95G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide
sequence Y
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide binding site
source pdb_hetatom : 95G_5q01_D_401

18) chain D
residue 160-161
type binding
ligand 95G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide
sequence VA
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide binding site
source pdb_hetatom : 95G_5q01_D_401

19) chain D
residue 175-177
type binding
ligand 95G: N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide
sequence LAM
description N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide binding site
source pdb_hetatom : 95G_5q01_D_401


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