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1hkb

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[[Image:1hkb.gif|left|200px]]<br /><applet load="1hkb" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1hkb.gif|left|200px]]
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caption="1hkb, resolution 2.80&Aring;" />
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'''CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE'''<br />
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{{Structure
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|PDB= 1hkb |SIZE=350|CAPTION= <scene name='initialview01'>1hkb</scene>, resolution 2.80&Aring;
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|SITE= <scene name='pdbsite=6CA:Glc-6-Phosphate+Binding+Site+In+C-Terminal+Domain'>6CA</scene>, <scene name='pdbsite=6CB:Glc-6-Phosphate+Binding+Site+In+C-Terminal+Domain'>6CB</scene>, <scene name='pdbsite=6NA:Glc-6-Phosphate+Binding+Site+In+N-Terminal+Domain'>6NA</scene>, <scene name='pdbsite=6NB:Glc-6-Phosphate+Binding+Site+In+N-Terminal+Domain'>6NB</scene>, <scene name='pdbsite=GCA:Glc+Binding+Site+In+C-Terminal+Domain'>GCA</scene>, <scene name='pdbsite=GCB:Glc+Binding+Site+In+C-Terminal+Domain'>GCB</scene>, <scene name='pdbsite=GNA:Glc+Binding+Site+In+N-Terminal+Domain'>GNA</scene>, <scene name='pdbsite=GNB:Glc+Binding+Site+In+N-Terminal+Domain'>GNB</scene>, <scene name='pdbsite=MCA:Metal+Ion+Binding+Site+In+C-Terminal+Domain'>MCA</scene>, <scene name='pdbsite=MCB:Metal+Ion+Binding+Site+In+C-Terminal+Domain'>MCB</scene>, <scene name='pdbsite=MNA:Metal+Ion+Binding+Site+In+N-Terminal+Domain'>MNA</scene> and <scene name='pdbsite=MNB:Metal+Ion+Binding+Site+In+N-Terminal+Domain'>MNB</scene>
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|LIGAND= <scene name='pdbligand=GLC:GLUCOSE'>GLC</scene>, <scene name='pdbligand=G6P:ALPHA-D-GLUCOSE-6-PHOSPHATE'>G6P</scene> and <scene name='pdbligand=CA:CALCIUM ION'>CA</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Hexokinase Hexokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.1 2.7.1.1]
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|GENE=
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}}
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'''CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1HKB is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=GLC:'>GLC</scene>, <scene name='pdbligand=G6P:'>G6P</scene> and <scene name='pdbligand=CA:'>CA</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Hexokinase Hexokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.1 2.7.1.1] Known structural/functional Sites: <scene name='pdbsite=6CA:Glc-6-Phosphate+Binding+Site+In+C-Terminal+Domain'>6CA</scene>, <scene name='pdbsite=6CB:Glc-6-Phosphate+Binding+Site+In+C-Terminal+Domain'>6CB</scene>, <scene name='pdbsite=6NA:Glc-6-Phosphate+Binding+Site+In+N-Terminal+Domain'>6NA</scene>, <scene name='pdbsite=6NB:Glc-6-Phosphate+Binding+Site+In+N-Terminal+Domain'>6NB</scene>, <scene name='pdbsite=GCA:Glc+Binding+Site+In+C-Terminal+Domain'>GCA</scene>, <scene name='pdbsite=GCB:Glc+Binding+Site+In+C-Terminal+Domain'>GCB</scene>, <scene name='pdbsite=GNA:Glc+Binding+Site+In+N-Terminal+Domain'>GNA</scene>, <scene name='pdbsite=GNB:Glc+Binding+Site+In+N-Terminal+Domain'>GNB</scene>, <scene name='pdbsite=MCA:Metal+Ion+Binding+Site+In+C-Terminal+Domain'>MCA</scene>, <scene name='pdbsite=MCB:Metal+Ion+Binding+Site+In+C-Terminal+Domain'>MCB</scene>, <scene name='pdbsite=MNA:Metal+Ion+Binding+Site+In+N-Terminal+Domain'>MNA</scene> and <scene name='pdbsite=MNB:Metal+Ion+Binding+Site+In+N-Terminal+Domain'>MNB</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HKB OCA].
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1HKB is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HKB OCA].
==Reference==
==Reference==
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The mechanism of regulation of hexokinase: new insights from the crystal structure of recombinant human brain hexokinase complexed with glucose and glucose-6-phosphate., Aleshin AE, Zeng C, Bourenkov GP, Bartunik HD, Fromm HJ, Honzatko RB, Structure. 1998 Jan 15;6(1):39-50. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=9493266 9493266]
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The mechanism of regulation of hexokinase: new insights from the crystal structure of recombinant human brain hexokinase complexed with glucose and glucose-6-phosphate., Aleshin AE, Zeng C, Bourenkov GP, Bartunik HD, Fromm HJ, Honzatko RB, Structure. 1998 Jan 15;6(1):39-50. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/9493266 9493266]
[[Category: Hexokinase]]
[[Category: Hexokinase]]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: phosphotransferase]]
[[Category: phosphotransferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:02:08 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 11:38:11 2008''

Revision as of 09:38, 20 March 2008

Image:1hkb.gif


PDB ID 1hkb

Drag the structure with the mouse to rotate
, resolution 2.80Å
Sites: , , , , , , , , , , and
Ligands: , and
Activity: Hexokinase, with EC number 2.7.1.1
Coordinates: save as pdb, mmCIF, xml



CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE


Contents

Overview

BACKGROUND: Hexokinase I is the pacemaker of glycolysis in brain tissue. The type I isozyme exhibits unique regulatory properties in that physiological levels of phosphate relieve potent inhibition by the product, glucose-6-phosphate (Gluc-6-P). The 100 kDa polypeptide chain of hexokinase I consists of a C-terminal (catalytic) domain and an N-terminal (regulatory) domain. Structures of ligated hexokinase I should provide a basis for understanding mechanisms of catalysis and regulation at an atomic level. RESULTS: The complex of human hexokinase I with glucose and Gluc-6-P (determined to 2.8 A resolution) is a dimer with twofold molecular symmetry. The N- and C-terminal domains of one monomer interact with the C- and N-terminal domains, respectively, of the symmetry-related monomer. The two domains of a monomer are connected by a single alpha helix and each have the fold of yeast hexokinase. Salt links between a possible cation-binding loop of the N-terminal domain and a loop of the C-terminal domain may be important to regulation. Each domain binds single glucose and Gluc-6-P molecules in proximity to each other. The 6-phosphoryl group of bound Gluc-6-P at the C-terminal domain occupies the putative binding site for ATP, whereas the 6-phosphoryl group at the N-terminal domain may overlap the binding site for phosphate. CONCLUSIONS: The binding synergism of glucose and Gluc-6-P probably arises out of the mutual stabilization of a common (glucose-bound) conformation of hexokinase I. Conformational changes in the N-terminal domain in response to glucose, phosphate, and/or Gluc-6-P may influence the binding of ATP to the C-terminal domain.

Disease

Known disease associated with this structure: Hemolytic anemia due to hexokinase deficiency OMIM:[142600]

About this Structure

1HKB is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

The mechanism of regulation of hexokinase: new insights from the crystal structure of recombinant human brain hexokinase complexed with glucose and glucose-6-phosphate., Aleshin AE, Zeng C, Bourenkov GP, Bartunik HD, Fromm HJ, Honzatko RB, Structure. 1998 Jan 15;6(1):39-50. PMID:9493266

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