Structure of PDB 2xy5 Chain A Binding Site BS03

Receptor Information
>2xy5 Chain A (length=581) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAKMAFTLADRVTEEMLADKAALVVEVVEENYHDAPIVGIAVVNEHGRFF
LRPETALADPQFVAWLGDETKKKSMFDSKRAAVALKWKGIELCGVSFDLL
LAAYLLDPAQGVDDVAAAAKMKQYEAVRPDEAVYGKGAKRAVPDEPVLAE
HLVRKAAAIWALERPFLDELRRNEQDRLLVELEQPLSSILAEMEFAGVKV
DTKRLEQMGEELAEQLRTVEQRIYELAGQEFNINSPKQLGVILFEKLQLP
VLKKSKTGYSTSADVLEKLAPYHEIVENILHYRQLGKLQSTYIEGLLKVV
RPDTKKVHTIFNQALTQTGRLSSTEPNLQNIPIRLEEGRKIRQAFVPSES
DWLIFAADYSQIELRVLAHIAEDDNLMEAFRRDLDIHTKTAMDIFQVSED
EVTPNMRRQAKAVNFGIVYGISDYGLAQNLNISRKEAAEFIERYFESFPG
VKRYMENIVQEAKQKGYVTTLLHRRRYLPDITSRNFNVRSFAERMAMNTP
IQGSAADIIKKAMIDLNARLKEERLQARLLLQVHDELILEAPKEEMERLC
RLVPEVMEQAVTLRVPLKVDYHYGSTWYDAK
Ligand information
Ligand IDZ9N
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-ZXXMMSQZSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OC1C(O)C(OC1(O)CO)CO
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)O)O)O)O
CACTVS 3.370OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C(C1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H]1O
FormulaC6 H12 O6
Namealpha-D-fructofuranose;
alpha-D-fructose;
D-fructose;
fructose
ChEMBLCHEMBL4748482
DrugBank
ZINCZINC000003830876
PDB chain2xy5 Chain D Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2xy5 Reversible Bond Formation Enables the Replication and Amplification of a Crosslinking Salen Complex as an Orthogonal Base Pair.
Resolution2.22 Å
Binding residue
(original residue number in PDB)		D372 R375 D408 N607
Binding residue
(residue number reindexed from 1)		D77 R80 D113 N312
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003676 nucleic acid binding
GO:0003677 DNA binding
GO:0003887 DNA-directed DNA polymerase activity
GO:0004518 nuclease activity
GO:0008408 3'-5' exonuclease activity
GO:0046872 metal ion binding
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006260 DNA replication
GO:0006261 DNA-templated DNA replication
GO:0006281 DNA repair
GO:0006302 double-strand break repair
GO:0006974 DNA damage response
GO:0071897 DNA biosynthetic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2xy5, PDBe:2xy5, PDBj:2xy5
PDBsum2xy5
PubMed21941252
UniProtE1C9K5

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