eF-site ID 5q07-H
PDB Code 5q07
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-(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 H:  DVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAV
RKAGIAHLYGIAGKLDVLSNDLVMNMLKSSFATCVLVSEE
DKHAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSVGTIFGI
YRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLAMD
CGVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYAKD
FDPAVTEYIQRKKFPPDNSAPYGARYVGSMVADVHRTLVY
GGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMATTG
KEAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHS
Description (1)  Fructose-1,6-bisphosphatase 1


Functional site

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

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

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

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

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

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

7) chain H
residue 25
type
ligand
sequence R
description binding site for residue 95Y H 401
source : AC8

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

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

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

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

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

13) chain H
residue 160
type
ligand
sequence V
description binding site for residue 95Y H 401
source : AC8

14) chain H
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_F_401

15) chain H
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_H_401

16) chain H
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_H_401

17) chain H
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_H_401

18) chain H
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_H_401

19) chain H
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_H_401

20) chain H
residue 160
type binding
ligand 95Y: N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
sequence V
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 H
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_H_401


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