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

click to enlarge
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 B:  DVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAV
RKAGIAHLYGIAGKLDVLSNDLVMNMLKSSFATCVLVSEE
DKHAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSVGTIFGI
YRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLAMD
CGVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYAKD
FDPAVTEYIQRKKFPPDNSAPYGARYVGSMVADVHRTLVY
GGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMATTG
KEAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHS
Description (1)  Fructose-1,6-bisphosphatase 1


Functional site

1) chain B
residue 20
type
ligand
sequence E
description binding site for residue 95G B 401
source : AC2

2) chain B
residue 21
type
ligand
sequence G
description binding site for residue 95G B 401
source : AC2

3) chain B
residue 22
type
ligand
sequence R
description binding site for residue 95G B 401
source : AC2

4) chain B
residue 26
type
ligand
sequence G
description binding site for residue 95G B 401
source : AC2

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

6) chain B
residue 28
type
ligand
sequence G
description binding site for residue 95G B 401
source : AC2

7) chain B
residue 29
type
ligand
sequence E
description binding site for residue 95G B 401
source : AC2

8) chain B
residue 30
type
ligand
sequence L
description binding site for residue 95G B 401
source : AC2

9) chain B
residue 31
type
ligand
sequence T
description binding site for residue 95G B 401
source : AC2

10) chain B
residue 161
type
ligand
sequence A
description binding site for residue 95G B 401
source : AC2

11) chain B
residue 175
type
ligand
sequence L
description binding site for residue 95G B 401
source : AC2

12) chain B
residue 177
type
ligand
sequence M
description binding site for residue 95G B 401
source : AC2

13) chain B
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_B_401

14) chain B
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_B_401

15) chain B
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_B_401

16) chain B
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_B_401

17) chain B
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_B_401

18) chain B
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_B_401

19) chain B
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_B_401

20) chain B
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_D_401

21) chain B
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_D_401


Display surface

Download
Links