Structure of PDB 3vgl Chain A Binding Site BS02

Receptor Information
>3vgl Chain A (length=312) Species: 455632 (Streptomyces griseus subsp. griseus NBRC 13350) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLTIGVDIGGTKIAAGVVDEEGRILSTFKVATPPTAEGIVDAICAAVAGA
SEGHDVEAVGIGAAGYVDDKRATVLFAPNIDWRHEPLKDKVEQRVGLPVV
VENDANAAAWGEYRFGAGQGHDDVICITLGTGLGGGIIIGNKLRRGRFGV
AAEFGHIRVVPDGLLCGCGSQGCWEQYASGRALVRYAKQRANATPENAAV
LLGLGDGSVDGIEGKHISEAARQGDPVAVDSFRELARWAGAGLADLASLF
DPSAFIVGGGVSDEGELVLDPIRKSFRRWLIGGEWRPHAQVLAAQLGGKA
GLVGAADLARQG
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 chain3vgl Chain A Residue 324 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vgl Substrate recognition mechanism and substrate-dependent conformational changes of an ROK family glucokinase from Streptomyces griseus
Resolution1.55 Å
Binding residue
(original residue number in PDB)		G66 P79 N104 D105 L134 G135 E154 H157 E176
Binding residue
(residue number reindexed from 1)		G65 P78 N103 D104 L133 G134 E153 H156 E175
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.2: glucokinase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004340 glucokinase activity
GO:0016301 kinase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006096 glycolytic process
GO:0016310 phosphorylation
GO:0051156 glucose 6-phosphate metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3vgl, PDBe:3vgl, PDBj:3vgl
PDBsum3vgl
PubMed22101842
UniProtB1VZT1

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