Structure of PDB 6jj9 Chain A Binding Site BS02

Receptor Information
>6jj9 Chain A (length=465) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EERRRRAAAVIEEVEQRFSTPTALLRGIADAMVEEMERGLRADPHAPLKM
LISYVDNLPTGDEHGLFYALDLGGTNFRVIRVQLGGREKRVVSQQYEEVA
IPPHLMVGTSMELFDFIAAELESFVKTEGEDFHLPEGRQRELGFTFSFPV
HQTSISSGTLIKWTKGFSINGTVGEDVVAELSRAMERQGLDMKVTALVND
TVGTLAGGRYVDNDVAAAVILGTGTNAAYVEHANAIPKWTGLLPRSGNMV
INMEWGNFKSERLPRSDYDNALDFESLNPGEQIYEKMISGMYLGEIVRRI
LLKLAHDASLFGDVVPTKLEQRFILRTPDMSAMHHDTSHDLKHLGAKLKD
ILGVADTSLEARYITLHVCDLVAERGARLAAAGIYGILKKLGRDRVPSDG
SQKQRTVIALDGGLYEHYKKFRTCLEATLADLLGEEAASSVVVKLANDGS
GIGAALLAASHSQYA
Ligand information
Ligand IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain6jj9 Chain A Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6jj9 Crystal structure of OsHXK6-Glc-ATP-Mg2+ complex
Resolution3.0 Å
Binding residue
(original residue number in PDB)		S185 F186 T202 K203 N237 D238 N264 E292 E323
Binding residue
(residue number reindexed from 1)		S147 F148 T164 K165 N199 D200 N226 E254 E285
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.1: hexokinase.
Gene Ontology
Molecular Function
GO:0004340 glucokinase activity
GO:0004396 hexokinase activity
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
Biological Process
GO:0001678 intracellular glucose homeostasis
GO:0005975 carbohydrate metabolic process
GO:0006006 glucose metabolic process
GO:0006096 glycolytic process
GO:0009749 response to glucose
GO:0016310 phosphorylation
GO:0019318 hexose metabolic process
GO:0046835 carbohydrate phosphorylation
GO:0051156 glucose 6-phosphate metabolic process
Cellular Component
GO:0005739 mitochondrion
GO:0005829 cytosol
GO:0009507 chloroplast
GO:0009527 plastid outer membrane
GO:0009707 chloroplast outer membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6jj9, PDBe:6jj9, PDBj:6jj9
PDBsum6jj9
PubMed
UniProtQ8LQ68|HXK6_ORYSJ Hexokinase-6 (Gene Name=HXK6)

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