eF-site ID 5q01-H
PDB Code 5q01
Chain H

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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 H:  DVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAV
RKAGIAHLYGIAGKLDVLSNDLVMNMLKSSFATCVLVSEE
DKHAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSVGTIFGI
YRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLAMD
CGVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYAKD
FDPAVTEYIQRKKFPPDNSAPYGARYVGSMVADVHRTLVY
GGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMATTG
KEAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHS
Description (1)  Fructose-1,6-bisphosphatase 1


Functional site

1) chain H
residue 27
type
ligand
sequence T
description binding site for residue 95G F 401
source : AC6

2) chain H
residue 28
type
ligand
sequence G
description binding site for residue 95G F 401
source : AC6

3) chain H
residue 17
type
ligand
sequence V
description binding site for residue 95G H 401
source : AC8

4) chain H
residue 20
type
ligand
sequence E
description binding site for residue 95G H 401
source : AC8

5) chain H
residue 21
type
ligand
sequence G
description binding site for residue 95G H 401
source : AC8

6) chain H
residue 22
type
ligand
sequence R
description binding site for residue 95G H 401
source : AC8

7) chain H
residue 26
type
ligand
sequence G
description binding site for residue 95G H 401
source : AC8

8) chain H
residue 27
type
ligand
sequence T
description binding site for residue 95G H 401
source : AC8

9) chain H
residue 28
type
ligand
sequence G
description binding site for residue 95G H 401
source : AC8

10) chain H
residue 29
type
ligand
sequence E
description binding site for residue 95G H 401
source : AC8

11) chain H
residue 30
type
ligand
sequence L
description binding site for residue 95G H 401
source : AC8

12) chain H
residue 31
type
ligand
sequence T
description binding site for residue 95G H 401
source : AC8

13) chain H
residue 161
type
ligand
sequence A
description binding site for residue 95G H 401
source : AC8

14) chain H
residue 175
type
ligand
sequence L
description binding site for residue 95G H 401
source : AC8

15) chain H
residue 177
type
ligand
sequence M
description binding site for residue 95G H 401
source : AC8

16) chain H
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_F_401

17) chain H
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_F_401

18) chain H
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_H_401

19) chain H
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_H_401

20) chain H
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_H_401

21) chain H
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_H_401

22) chain H
residue 112-113
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 KY
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_H_401

23) chain H
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_H_401

24) chain H
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_H_401


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