Structure of PDB 2qun Chain A Binding Site BS01

Receptor Information
>2qun Chain A (length=290) Species: 36746 (Pseudomonas cichorii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNKVGMFYTYWSTEWMVDFPATAKRIAGLGFDLMEISLGEFHNLSDAKKR
ELKAVADDLGLTVMCCIGLKSEYDFASPDKSVRDAGTEYVKRLLDDCHLL
GAPVFAGLTFCAWPQSPPLDMKDKRPYVDRAIESVRRVIKVAEDYGIIYA
LEVVNRFEQWLCNDAKEAIAFADAVDSPACKVQLDTFHMNIEETSFRDAI
LACKGKMGHFHLGEANRLPPGEGRLPWDEIFGALKEIGYDGTIVMEPFMR
KGGSVSRAVGVWRDMSNGATDEEMDERARRSLQFVRDKLA
Ligand information
Ligand IDFUD
InChIInChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1
InChIKeyBJHIKXHVCXFQLS-UYFOZJQFSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO
ACDLabs 10.04O=C(C(O)C(O)C(O)CO)CO
OpenEye OEToolkits 1.5.0C(C(C(C(C(=O)CO)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)C(=O)CO
FormulaC6 H12 O6
NameD-fructose
ChEMBLCHEMBL1232863
DrugBank
ZINCZINC000001532049
PDB chain2qun Chain A Residue 291 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2qun Crystal structures of D-tagatose 3-epimerase from Pseudomonas cichorii and its complexes with D-tagatose and D-fructose
Resolution2.06 Å
Binding residue
(original residue number in PDB)		C66 I67 W113 E152 E158 H188 R217 E246
Binding residue
(residue number reindexed from 1)		C66 I67 W113 E152 E158 H188 R217 E246
Annotation score5
Enzymatic activity
Enzyme Commision number 5.1.3.31: D-tagatose 3-epimerase.
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2qun, PDBe:2qun, PDBj:2qun
PDBsum2qun
PubMed17936787
UniProtO50580|DT3E_PSECI D-tagatose 3-epimerase

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