eF-site ID 5q07-F
PDB Code 5q07
Chain F

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


Functional site

1) chain F
residue 21
type
ligand
sequence G
description binding site for residue 95Y F 401
source : AC6

2) chain F
residue 22
type
ligand
sequence R
description binding site for residue 95Y F 401
source : AC6

3) chain F
residue 26
type
ligand
sequence G
description binding site for residue 95Y F 401
source : AC6

4) chain F
residue 27
type
ligand
sequence T
description binding site for residue 95Y F 401
source : AC6

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

6) chain F
residue 30
type
ligand
sequence L
description binding site for residue 95Y F 401
source : AC6

7) chain F
residue 31
type
ligand
sequence T
description binding site for residue 95Y F 401
source : AC6

8) chain F
residue 160
type
ligand
sequence V
description binding site for residue 95Y F 401
source : AC6

9) chain F
residue 177
type
ligand
sequence M
description binding site for residue 95Y F 401
source : AC6

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

11) chain F
residue 27
type
ligand
sequence T
description binding site for residue 95Y H 401
source : AC8

12) chain F
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_F_401

13) chain F
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_F_401

14) chain F
residue 24-31
type binding
ligand 95Y: N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
sequence ARGTGELT
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_F_401

15) chain F
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_F_401

16) chain F
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_F_401

17) chain F
residue 140
type binding
ligand 95Y: N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
sequence R
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_F_401

18) chain F
residue 160-161
type binding
ligand 95Y: N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
sequence VA
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_F_401

19) chain F
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_F_401

20) chain F
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_H_401

21) chain F
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_H_401


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