Structure of PDB 6jj8 Chain B Binding Site BS01

Receptor Information
>6jj8 Chain B (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 IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain6jj8 Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6jj8 Crystal structure of OsHXK6-ATP-Mg2+ complex
Resolution2.8 Å
Binding residue
(original residue number in PDB)		G112 T113 G260 T261 G328 P366 S369 G451 L452 H455
Binding residue
(residue number reindexed from 1)		G74 T75 G222 T223 G290 P328 S331 G413 L414 H417
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:6jj8, PDBe:6jj8, PDBj:6jj8
PDBsum6jj8
PubMed
UniProtQ8LQ68|HXK6_ORYSJ Hexokinase-6 (Gene Name=HXK6)

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