Structure of PDB 3a0i Chain X

Receptor sequence
>3a0iX (length=448) Species: 9606 (Homo sapiens) [Search protein sequence]
TLVEQILAEFQLQEEDLKKVMRRMQKEMDRGLRLETHEEASVKMLPTYVR
STPEGSEVGDFLSLDLGGTNFRVMLVKVGEGEEGQWSVKTKHQMYSIPED
AMTGTAEMLFDYISECISDFLDKHQMKHKKLPLGFTFSFPVRHEDIDKGI
LLNWTKGFKASGAEGNNVVGLLRDAIKRRGDFEMDVVAMVNDTVATMISC
YYEDHQCEVGMIVGTGCNACYMEEMQNVELVEGDEGRMCVNTEWGAFGDS
GELDEFLLEYDRLVDESSANPGQQLYEKLIGGKYMGELVRLVLLRLVDEN
LLFHGEASEQLRTRGAFETRFVSQVESDTGDRKQIYNILSTLGLRPSTTD
CDIVRRACESVSTRAAHMCSAGLAGVINRMRESRSEDVMRITVGVDGSVY
KLHPSFKERFHASVRRLTPSCEITFIESEEGSGRGAALVSAVACKKAC
3D structure
PDB3a0i Discovery of novel 3,6-disubstituted 2-pyridinecarboxamide derivatives as GK activators
ChainX
Resolution2.2 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) R85 S151
Catalytic site (residue number reindexed from 1) R72 S138
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 X S151 F152 T168 K169 N204 D205 I225 N231 E256 E290 S138 F139 T155 K156 N191 D192 I212 N218 E243 E277
BS02 AJI X Y61 V62 R63 P66 G97 Q98 M210 I211 Y214 Y215 C220 M235 L451 V455 Y48 V49 R50 P53 G84 Q85 M197 I198 Y201 Y202 C207 M222 L438 V442 BindingDB: EC50=250nM
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3a0i, PDBe:3a0i, PDBj:3a0i
PDBsum3a0i
PubMed19362831
UniProtP35557|HXK4_HUMAN Hexokinase-4 (Gene Name=GCK)

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