Structure of PDB 3hm8 Chain A Binding Site BS01

Receptor Information
>3hm8 Chain A (length=441) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRRLLEETLAPFRLNHDQLAAVQAQMRKAMAKGLRGEASSLRMLPTFVRA
TPDGSERGDFLALDLGGTNFRVLLVRVTTGVQITSEIYSIPETVAQGSGQ
QLFDHIVDCIVDFQQKQGLSGQSLPLGFTFSFPCRQLGLDQGILLNWTKG
FKASDCEGQDVVSLLREAITRRQAVELNVVAIVNDTVGTMMSCGYEDPRC
EIGLIVGTGTNACYMEELRNVAGVPGDSGRMCINMEWGAFGDDGSLAMLS
TRFDASVDQASINPGKQRFEKMISGMYLGEIVRHILLHLTSLGVLFRGQQ
IQRLQTRDIFKTKFLSEIESDSLALRQVRAILEDLGLPLTSDDALMVLEV
CQAVSQRAAQLCGAGVAAVVEKIRENRGLEELAVSVGVDGTLYKLHPRFS
SLVAATVRELAPRCVVTFLQSEDGSGKGAALVTAVACRLAQ
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain3hm8 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3hm8 Crystal structure of the C-terminal Hexokinase domain of human HK3
Resolution2.8 Å
Binding residue
(original residue number in PDB)		S609 F610 T626 K627 N662 D663 N689 E714 E748
Binding residue
(residue number reindexed from 1)		S131 F132 T148 K149 N184 D185 N211 E236 E270
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R549 S609 N624 D663
Catalytic site (residue number reindexed from 1) R71 S131 N146 D185
Enzyme Commision number 2.7.1.1: hexokinase.
Gene Ontology
Molecular Function
GO:0004396 hexokinase activity
GO:0005524 ATP binding
GO:0005536 D-glucose binding
GO:0016773 phosphotransferase activity, alcohol group as acceptor
Biological Process
GO:0001678 intracellular glucose homeostasis
GO:0005975 carbohydrate metabolic process
GO:0006096 glycolytic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3hm8, PDBe:3hm8, PDBj:3hm8
PDBsum3hm8
PubMed
UniProtP52790|HXK3_HUMAN Hexokinase-3 (Gene Name=HK3)

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