Structure of PDB 1sz2 Chain A Binding Site BS01

Receptor Information
>1sz2 Chain A (length=319) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYALVGDVGGTNARLALCDIASGEISQAKTYSGLDYPSLEAVIRVYLEEH
KVEVKDGCIAIACPITGDWVAMTNHTWAFSIAEMKKNLGFSHLEIINDFT
AVSMAIPMLKKEHLIQFGGAEPVEGKPIAVYGAGTGLGVAHLVHVDKRWV
SLPGEGGHVDFAPNSEEEAIILEILRAEIGHVSAERVLSGPGLVNLYRAI
VKADNRLPENLKPKDITERALADSCTDCRRALSLFCVIMGRFGGNLALNL
GTFGGVFIAGGIVPRFLEFFKASGFRAAFEDKGRFKEYVHDIPVYLIVHD
NPGLLGSGAHLRQTLGHIL
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 chain1sz2 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1sz2 Crystal structures of Escherichia coli ATP-dependent glucokinase and its complex with glucose
Resolution2.2 Å
Binding residue
(original residue number in PDB)		C65 N99 D100 L139 G140 E157 H160 E187
Binding residue
(residue number reindexed from 1)		C63 N97 D98 L137 G138 E155 H158 E185
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.2: glucokinase.
Gene Ontology
Molecular Function
GO:0004340 glucokinase activity
GO:0005524 ATP binding
GO:0005536 D-glucose binding
GO:0016301 kinase activity
Biological Process
GO:0006096 glycolytic process
GO:0016310 phosphorylation
GO:0051156 glucose 6-phosphate metabolic process
Cellular Component
GO:0005737 cytoplasm
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:1sz2, PDBe:1sz2, PDBj:1sz2
PDBsum1sz2
PubMed15466045
UniProtP0A6V9|GLK_ECO57 Glucokinase (Gene Name=glk)

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