Structure of PDB 6ksr Chain A Binding Site BS01

Receptor Information
>6ksr Chain A (length=467) Species: 5802 (Eimeria tenella) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANNSLEQKAEQVLAPLRLSKEKLQDLSKTFSDELLRGLEMHKRHGLKWVP
EECSLRMLDSCVSEIPTGNEKGVFYALDFGGTNVRAVRCELLGGGRIRSQ
QFLKNLYECGGEIDLMARETSASQLFDVLAGCVGELVEENNEKELLKKKA
AKLGFTFSFPCVQRSLNNSVLESWTKGFATGHDTDDPVVGKDVVPLLAAA
FARQGLGLECEAVVNDTVGTLLSCAYQKGPGGPPCTVGVILGTGANCCYW
EPQAAAFGYRGAVVNVECGNFNKNLPTTPADEAIDNKSPNKKHQLFEKMI
SGFYLGELVRLLTLEIFGAAAPAKAREEFSFDAKQAAVLAASLMPGKEED
PALASSCKVLLKESWGWDLDAAALKVMRQIGFAVFDRSAALAAVSIAVLV
QRTRSLETDGGVTVAVDGSLYVRNEWYGLRIRTFLKELLGEKVDKVFLRA
ADDGSGKGAAICVAALH
Ligand information
Ligand IDGLA
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-PHYPRBDBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
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
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-galactopyranose;
alpha-D-galactose;
D-galactose;
galactose;
ALPHA D-GALACTOSE
ChEMBLCHEMBL1233058
DrugBank
ZINCZINC000000901155
PDB chain6ksr Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ksr Crystal structure of Hexokinase from Eimeria tenella
Resolution1.37 Å
Binding residue
(original residue number in PDB)		N215 D216 N246 E267 E297
Binding residue
(residue number reindexed from 1)		N215 D216 N246 E267 E297
Annotation score2
Enzymatic activity
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:6ksr, PDBe:6ksr, PDBj:6ksr
PDBsum6ksr
PubMed
UniProtU6KUE1

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