Structure of PDB 4f2s Chain A Binding Site BS04

Receptor Information
>4f2s Chain A (length=578) Species: 235909 (Geobacillus kaustophilus HTA426) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAFTLADRVTEEMLADKAALVVEVVEENYHDAPIVGIAVVNEHGRFFLRP
ETALADPQFVAWLGDETKKKSMFDSKRAAVALKWKGIELCGVSFDLLLAA
YLLDPAQGVDDVAAAAKMKQYEAVRPDEAVYGKGAKRAVPDEPVLAEHLV
RKAAAIWELERPFLDELRRNEQDRLLVELEQPLSSILAEMEFAGVKVDTK
RLEQMGKELAEQLGTVEQRIYELAGQEFNINSPKQLGVILFEKLQLPVLK
KTKTGYSTSADVLEKLAPYHEIVENILHYRQLGKLQSTYIEGLLKVVRPA
TKKVHTIFNQALTQTGRLSSTEPNLQNIPIRLEEGRKIRQAFVPSESDWL
IFAADYSQIELRVLAHIAEDDNLMEAFRRDLDIHTKTAMDIFQVSEDEVT
PNMRRQAKAVNYGIVYGISDYGLAQNLNISRKEAAEFIERYFESFPGVKR
YMENIVQEAKQKGYVTTLLHRRRYLPDITSRNFNVRSFAERMAMNTPIQG
SAADIIKKAMIDLNARLKEERLQAHLLLQVHDELILEAPKEEMERLCRLV
PEVMEQAVTLRVPLKVDYHYGSTWYDAK
Ligand information
Ligand IDFRU
InChIInChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKeyRFSUNEUAIZKAJO-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(OC1(O)CO)CO
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
CACTVS 3.341OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
FormulaC6 H12 O6
Namebeta-D-fructofuranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBLCHEMBL604608
DrugBank
ZINCZINC000001529270
PDB chain4f2s Chain G Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4f2s Structural evidence for the rare tautomer hypothesis of spontaneous mutagenesis.
Resolution1.651 Å
Binding residue
(original residue number in PDB)		D372 R375 D408 N607
Binding residue
(residue number reindexed from 1)		D74 R77 D110 N309
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003677 DNA binding
GO:0003887 DNA-directed DNA polymerase activity
GO:0008408 3'-5' exonuclease activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006260 DNA replication
GO:0006261 DNA-templated DNA replication

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4f2s, PDBe:4f2s, PDBj:4f2s
PDBsum4f2s
PubMed
UniProtQ5KWC1

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