Structure of PDB 4kkv Chain A Binding Site BS01

Receptor Information
>4kkv Chain A (length=295) Species: 284593 (Nakaseomyces glabratus CBS 138) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMVMRLGDAAELCYNLTSSYLQIAAESDSIIAQTQRAINTTKSILINET
FPKWSPLNGEISFSYNGGKDCQVLLLLYLSCLWEYYIVFPLTKLPTVFID
HDDTFKTLENFIEETSLRYSLSLYESDRDKCETMAEAFETFLQVFPETKA
IVIGIRHTDPFGEHLKPIQKTAANWPDFYRLQPLLHWNLANIWSFLLYSN
EPICELYRYGFTSLGNVEETLPNPHLRKDKNSTPLKLNFEWEIENRYKHN
EVTKAEPIPIADEDLVKIENLHEDYYPGWYLVDDKLERAGRIKKK
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 chain4kkv Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4kkv The "Super Mutant" of Yeast FMN Adenylyltransferase Enhances the Enzyme Turnover Rate by Attenuating Product Inhibition.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		K49 W50
Binding residue
(residue number reindexed from 1)		K53 W54
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.2: FAD synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0003919 FMN adenylyltransferase activity
GO:0005524 ATP binding
GO:0016779 nucleotidyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006747 FAD biosynthetic 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:4kkv, PDBe:4kkv, PDBj:4kkv
PDBsum4kkv
PubMed23663086
UniProtQ6FNA9

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