Structure of PDB 4bga Chain B Binding Site BS01

Receptor Information
>4bga Chain B (length=314) Species: 190192 (Methanopyrus kandleri AV19) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTRVLGIQLGNTGTDYCVMNEDGDWEIVAREEGVFGKISCVFTLEESRRA
LREEIAPRVIERVRRVNPDLAVVGTIVDELGLILGPMIHEKTGVPTLAVY
GDPWGAPDGDAVGAPYCVAEEYPNCVHVDVGAMAVVTPIRDGRPDFGDAV
VSVGTFPLDLAARELLGKEYDEGGKKAAEGEVDENFRRELRSVDVDGKPV
FGRVRGSLAPVPPEQERVLRDHIRDAGAPAEDVLRTLVELVAETIVINAA
QYDMDLLVLSGGGVKNELLKRRVSELWEGDVSIFAGEELEARGLCLLGLR
YLEGEPVPALPCEG
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 chain4bga Chain B Residue 1353 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4bga Structural Characterization of the Ribonuclease H-Like Type Askha Superfamily Kinase Mk0840 from Methanopyrus Kandleri
Resolution2.6 Å
Binding residue
(original residue number in PDB)		D144 V247
Binding residue
(residue number reindexed from 1)		D108 V211
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005524 ATP binding
GO:0008237 metallopeptidase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
GO:0046872 metal ion binding
Biological Process
GO:0006040 amino sugar metabolic process
GO:0009254 peptidoglycan turnover

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Molecular Function
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Biological Process
External links
PDB RCSB:4bga, PDBe:4bga, PDBj:4bga
PDBsum4bga
PubMed24311585
UniProtQ8TX37

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