eF-site ID 5q0b-A
PDB Code 5q0b
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-(4-bromo-3-methyl-1,2-thiazol-5-yl)-3-(3-methylphenyl)sulfonylurea
Classification HYDROLASE/HYDROLASE INHIBITOR
Compound Fructose-1,6-bisphosphatase 1
Source (Q2TU34_HUMAN)
Sequence A:  DVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAV
RKAGIAHLYGIAGSTNVTGDQVKKLDVLSNDLVMNMLKSS
FATCVLVSEEDKHAIIVEPEKRGKYVVCFDPLDGSSNIDC
LVSVGTIFGIYRKKSTDEPSEKDALQPGRNLVAAGYALYG
SATMLVLAMDCGVNCFMLDPAIGEFILVDKDVKIKKKGKI
YSLNEGYAKDFDPAVTEYIQRKKFPPDNSAPYGARYVGSM
VADVHRTLVYGGIFLYPANKKSPNGKLRLLYECNPMAYVM
EKAGGMATTGKEAVLDVIPTDIHQRAPVILGSPDDVLEFL
KVYEKHS
Description (1)  Fructose-1,6-bisphosphatase 1


Functional site

1) chain A
residue 17
type
ligand
sequence V
description binding site for residue 96J A 401
source : AC1

2) chain A
residue 18
type
ligand
sequence M
description binding site for residue 96J A 401
source : AC1

3) chain A
residue 21
type
ligand
sequence G
description binding site for residue 96J A 401
source : AC1

4) chain A
residue 22
type
ligand
sequence R
description binding site for residue 96J A 401
source : AC1

5) chain A
residue 24
type
ligand
sequence A
description binding site for residue 96J A 401
source : AC1

6) chain A
residue 26
type
ligand
sequence G
description binding site for residue 96J A 401
source : AC1

7) chain A
residue 27
type
ligand
sequence T
description binding site for residue 96J A 401
source : AC1

8) chain A
residue 28
type
ligand
sequence G
description binding site for residue 96J A 401
source : AC1

9) chain A
residue 29
type
ligand
sequence E
description binding site for residue 96J A 401
source : AC1

10) chain A
residue 30
type
ligand
sequence L
description binding site for residue 96J A 401
source : AC1

11) chain A
residue 31
type
ligand
sequence T
description binding site for residue 96J A 401
source : AC1

12) chain A
residue 27
type
ligand
sequence T
description binding site for residue 96J C 401
source : AC3

13) chain A
residue 17-18
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence VM
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_A_401

14) chain A
residue 20-22
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence EGR
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_A_401

15) chain A
residue 24-31
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence ARGTGELT
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_A_401

16) chain A
residue 34
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence L
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_A_401

17) chain A
residue 112-113
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence KY
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_A_401

18) chain A
residue 177
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence M
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_A_401

19) chain A
residue 18
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence M
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_C_401

20) chain A
residue 26-28
type binding
ligand 96J: N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
sequence GTG
description N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide binding site
source pdb_hetatom : 96J_5q0b_C_401


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