Structure of PDB 3s41 Chain A

Receptor sequence
>3s41A (length=448) Species: 9606 (Homo sapiens) [Search protein sequence]
ENLYFQGMKKEKVEQILAEFQLQEEDLKKVMRRMQKEMDRGLRLETHEEA
SVKMLPTYVRSTPEGSEVGDFLSLDLGGTNFRVMLVKVGSVKTKHQMYSI
PEDAMTGTAEMLFDYISECISDFLDKHQMKHKKLPLGFTFSFPVRHEDID
KGILLNWTKGFKASGAEGNNVVGLLRDAIKRRGDFEMDVVAMVNDTVATM
ISCYYEDHQCEVGMIVGTGCNACYMEEMQNVELVEGDEGRMCVNTEWGAF
GDSGELDEFLLEYDRLVDESSANPGQQLYEKLIGGKYMGELVRLVLLRLV
DENLLFHGEASEQLRTRGAFETRFVSQVESDTGDRKQIYNILSTLGLRPS
TTDCDIVRRACESVSTRAAHMCSAGLAGVINRMRESRSEDVMRITVGVDG
SVYKLHPSFKERFHASVRRLTPSCEITFIESEEGSGRGAALVSAVACK
3D structure
PDB3s41 Designing glucokinase activators with reduced hypoglycemia risk: discovery of N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)-carbamoyl)benzofuran-4-yloxy)pyrimidine-2-carboxamide as a clinical candidate for the treatment of type 2 diabetes mellitus
ChainA
Resolution2.18 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) R85 S151 N166 D205
Catalytic site (residue number reindexed from 1) R82 S141 N156 D195
Enzyme Commision number 2.7.1.1: hexokinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 GLC A S151 F152 T168 K169 N204 D205 G229 N231 E256 E290 S141 F142 T158 K159 N194 D195 G219 N221 E246 E280
BS02 S41 A R63 S69 I159 I211 Y214 Y215 M235 L451 V452 V455 A456 R60 S66 I149 I201 Y204 Y205 M225 L441 V442 V445 A446 BindingDB: EC50=190nM
Gene Ontology
Molecular Function
GO:0004340 glucokinase activity
GO:0004396 hexokinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0005536 D-glucose binding
GO:0008865 fructokinase activity
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
GO:0019158 mannokinase activity
GO:0141089 glucose sensor activity
Biological Process
GO:0001678 intracellular glucose homeostasis
GO:0005975 carbohydrate metabolic process
GO:0006006 glucose metabolic process
GO:0006007 glucose catabolic process
GO:0006096 glycolytic process
GO:0006110 regulation of glycolytic process
GO:0006739 NADP metabolic process
GO:0009749 response to glucose
GO:0016310 phosphorylation
GO:0019318 hexose metabolic process
GO:0032024 positive regulation of insulin secretion
GO:0032869 cellular response to insulin stimulus
GO:0042593 glucose homeostasis
GO:0043266 regulation of potassium ion transport
GO:0044320 cellular response to leptin stimulus
GO:0045721 negative regulation of gluconeogenesis
GO:0045725 positive regulation of glycogen biosynthetic process
GO:0046835 carbohydrate phosphorylation
GO:0050796 regulation of insulin secretion
GO:0051156 glucose 6-phosphate metabolic process
GO:0061621 canonical glycolysis
GO:0070509 calcium ion import
GO:1901135 carbohydrate derivative metabolic process
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3s41, PDBe:3s41, PDBj:3s41
PDBsum3s41
PubMed
UniProtP35557|HXK4_HUMAN Hexokinase-4 (Gene Name=GCK)

[Back to BioLiP]