Structure of PDB 5v36 Chain B Binding Site BS02

Receptor Information
>5v36 Chain B (length=451) Species: 210007 (Streptococcus mutans UA159) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMTKQYDYIVIGGGSGGIASANRAAMHGAKVILFEGKQVGGTCVNVGCVP
KKVMWYGAQVAETINNYAADYGFDVTTQAFHFDVLKQNRQAYIDRIHDSY
ERGFDSNGVERVYGYATFVDAHTVEVAGEHYTAPHILIATGGHALLPDIP
GSEYGITSDGFFELDAIPKRTAVVGAGYIAVEISGILHALGSETHLFVRR
DRPLRKFDKEIVGTLVDEMKKDGPHLHTFSVPKEVIKNTDNSLTLILENG
EEYTVDTLIWAIGRAANTKGFNLEVTGVTLDSRGFIATDAFENTNVEGLY
ALGDVNGKLELTPVAVKAGRQLSERLFNHKPQAKMDYKDVATVIFSHPVI
GSIGLSEEAALDQYGEENVTVYRSTFTSMYTAVTSHRQACKMKLVTVGED
EKIVGLHGIGYGVDEMIQGFAVAIKMGATKADFDNTVAIHPTGSEEFVTM
R
Ligand information
Ligand IDBDF
InChIInChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKeyLKDRXBCSQODPBY-ARQDHWQXSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C]1(O)OC[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O
ACDLabs 10.04OC1C(O)(OCC(O)C1O)CO
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)(CO)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-fructopyranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBL
DrugBank
ZINCZINC000003861095
PDB chain5v36 Chain B Residue 523 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5v36 1.88 Angstrom Resolution Crystal Structure of Glutathione Reductase from Streptococcus mutans UA159 in Complex with FAD.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		Y410 D413
Binding residue
(residue number reindexed from 1)		Y411 D414
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) V38 C42 C47 K50 Y177 E181 A437 H439 E444
Catalytic site (residue number reindexed from 1) V39 C43 C48 K51 Y178 E182 A438 H440 E445
Enzyme Commision number 1.8.1.7: glutathione-disulfide reductase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004362 glutathione-disulfide reductase (NADPH) activity
GO:0016491 oxidoreductase activity
GO:0016668 oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor
GO:0050660 flavin adenine dinucleotide binding
GO:0050661 NADP binding
Biological Process
GO:0006749 glutathione metabolic process
GO:0034599 cellular response to oxidative stress
GO:0045454 cell redox homeostasis
GO:0098869 cellular oxidant detoxification
Cellular Component
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:5v36, PDBe:5v36, PDBj:5v36
PDBsum5v36
PubMed
UniProtQ8DUR5

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