eF-site ID 5q01-A
PDB Code 5q01
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-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 A:  DVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAV
RKAGIAHLYGIAGVKKLDVLSNDLVMNMLKSSFATCVLVS
EEDKHAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSVGTIF
GIYRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLA
MDCGVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYA
KDFDPAVTEYIQRKKFPPDNSAPYGARYVGSMVADVHRTL
VYGGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMAT
TGKEAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHS
Description (1)  Fructose-1,6-bisphosphatase 1


Functional site

1) chain A
residue 18
type
ligand
sequence M
description binding site for residue 95G A 401
source : AC1

2) chain A
residue 21
type
ligand
sequence G
description binding site for residue 95G A 401
source : AC1

3) chain A
residue 22
type
ligand
sequence R
description binding site for residue 95G A 401
source : AC1

4) chain A
residue 26
type
ligand
sequence G
description binding site for residue 95G A 401
source : AC1

5) chain A
residue 27
type
ligand
sequence T
description binding site for residue 95G A 401
source : AC1

6) chain A
residue 28
type
ligand
sequence G
description binding site for residue 95G A 401
source : AC1

7) chain A
residue 29
type
ligand
sequence E
description binding site for residue 95G A 401
source : AC1

8) chain A
residue 30
type
ligand
sequence L
description binding site for residue 95G A 401
source : AC1

9) chain A
residue 31
type
ligand
sequence T
description binding site for residue 95G A 401
source : AC1

10) chain A
residue 175
type
ligand
sequence L
description binding site for residue 95G A 401
source : AC1

11) chain A
residue 177
type
ligand
sequence M
description binding site for residue 95G A 401
source : AC1

12) chain A
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_A_401

13) chain A
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_A_401

14) chain A
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_A_401

15) chain A
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_A_401

16) chain A
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_A_401

17) chain A
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_A_401

18) chain A
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_C_401

19) chain A
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_C_401


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