eF-site ID 5q07-D
PDB Code 5q07
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-(4-bromo-6-morpholin-4-ylpyridin-2-yl)-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]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 26
type
ligand
sequence G
description binding site for residue 95Y B 401
source : AC2

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

3) chain D
residue 17
type
ligand
sequence V
description binding site for residue 95Y D 401
source : AC4

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

5) chain D
residue 22
type
ligand
sequence R
description binding site for residue 95Y D 401
source : AC4

6) chain D
residue 24
type
ligand
sequence A
description binding site for residue 95Y D 401
source : AC4

7) chain D
residue 25
type
ligand
sequence R
description binding site for residue 95Y D 401
source : AC4

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

9) chain D
residue 27
type
ligand
sequence T
description binding site for residue 95Y D 401
source : AC4

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

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

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

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

14) chain D
residue 26-28
type binding
ligand 95Y: N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
sequence GTG
description N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide binding site
source pdb_hetatom : 95Y_5q07_B_401

15) chain D
residue 31
type binding
ligand 95Y: N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
sequence T
description N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide binding site
source pdb_hetatom : 95Y_5q07_B_401

16) chain D
residue 17-18
type binding
ligand 95Y: N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
sequence VM
description N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide binding site
source pdb_hetatom : 95Y_5q07_D_401

17) chain D
residue 20-22
type binding
ligand 95Y: N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
sequence EGR
description N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide binding site
source pdb_hetatom : 95Y_5q07_D_401

18) chain D
residue 24-32
type binding
ligand 95Y: N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
sequence ARGTGELTQ
description N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide binding site
source pdb_hetatom : 95Y_5q07_D_401

19) chain D
residue 34
type binding
ligand 95Y: N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
sequence L
description N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide binding site
source pdb_hetatom : 95Y_5q07_D_401

20) chain D
residue 113
type binding
ligand 95Y: N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
sequence Y
description N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide binding site
source pdb_hetatom : 95Y_5q07_D_401

21) chain D
residue 177-178
type binding
ligand 95Y: N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
sequence MD
description N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide binding site
source pdb_hetatom : 95Y_5q07_D_401


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