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

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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 E:  DVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAV
RKAGIAHLYGIAGVKKLDVLSNDLVMNMLKSSFATCVLVS
EEDKHAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSVGTIF
GIYRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLA
MDCGVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYA
KDFDPAVTEYIQRKKFPPDNSAPYGARYVGSMVADVHRTL
VYGGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMAT
TGKEAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHS
Description (1)  Fructose-1,6-bisphosphatase 1


Functional site

1) chain E
residue 17
type
ligand
sequence V
description binding site for residue 95Y E 401
source : AC5

2) chain E
residue 21
type
ligand
sequence G
description binding site for residue 95Y E 401
source : AC5

3) chain E
residue 22
type
ligand
sequence R
description binding site for residue 95Y E 401
source : AC5

4) chain E
residue 25
type
ligand
sequence R
description binding site for residue 95Y E 401
source : AC5

5) chain E
residue 26
type
ligand
sequence G
description binding site for residue 95Y E 401
source : AC5

6) chain E
residue 27
type
ligand
sequence T
description binding site for residue 95Y E 401
source : AC5

7) chain E
residue 28
type
ligand
sequence G
description binding site for residue 95Y E 401
source : AC5

8) chain E
residue 29
type
ligand
sequence E
description binding site for residue 95Y E 401
source : AC5

9) chain E
residue 30
type
ligand
sequence L
description binding site for residue 95Y E 401
source : AC5

10) chain E
residue 31
type
ligand
sequence T
description binding site for residue 95Y E 401
source : AC5

11) chain E
residue 160
type
ligand
sequence V
description binding site for residue 95Y E 401
source : AC5

12) chain E
residue 26
type
ligand
sequence G
description binding site for residue 95Y G 401
source : AC7

13) chain E
residue 27
type
ligand
sequence T
description binding site for residue 95Y G 401
source : AC7

14) chain E
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_E_401

15) chain E
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_E_401

16) chain E
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_E_401

17) chain E
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_E_401

18) chain E
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_E_401

19) chain E
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_E_401

20) chain E
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_E_401

21) chain E
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_G_401


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