Structure of PDB 7zzi Chain A Binding Site BS01

Receptor Information
>7zzi Chain A (length=463) Species: 5820 (Plasmodium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PINEELSWRINKFVNQLRISYSTLEEFVDNFVYELKKGLEAHRKHPNLWI
PHECSFKMLDSCIANIPTGQEKGTYYAIDFGGTNFRAVRASLDGKGKIKR
DQETYSLKFTGSYSHEKGLLDKHATASQLFDHFAERIKYIMGEFNDLDNK
EVKSVGFTFSFPCTSPSINCSILIDWTKGFETGRATNDPVEGRDVCKLMN
DAFVRAAIPAKVCCVLNDAVGTLMSCAYQKGRGTPPCYIGIILGTGSNGC
YYEPEWKKYKYAGKIINIEFGNFDKDLPTSPIDLVMDWYSANRSRQLFEK
MISGAYLGEIVRRFMVNVLQSACSKKMWISDSFNSESGSVVLNDTSKNFE
DSRKVAKAAWDMDFTDEQIYVLRKICEAVYNRSAALAAGTIAAIAKRIKI
IEHSKFTCGVDGSLFVKNAWYCKRLQEHLKVILADKAENLIIIPADDGSG
KGAAITAAVIALN
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 chain7zzi Chain A Residue 501 [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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PDB7zzi Structural Analysis of Plasmodium falciparum Hexokinase Provides Novel Information about Catalysis Due to a Plasmodium -Specific Insertion.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		S183 F184 P185 T200 K201 N240 D241 N271 E292 E322
Binding residue
(residue number reindexed from 1)		S160 F161 P162 T177 K178 N217 D218 N248 E269 E299
Annotation score2
Enzymatic activity
Enzyme Commision number 2.7.1.-
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:0016310 phosphorylation
GO:0046835 carbohydrate phosphorylation
GO:0051156 glucose 6-phosphate metabolic process
Cellular Component
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:7zzi, PDBe:7zzi, PDBj:7zzi
PDBsum7zzi
PubMed37628920
UniProtW7JZC2

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