Structure of PDB 5j8l Chain A Binding Site BS03

Receptor Information
>5j8l Chain A (length=294) Species: 36746 (Pseudomonas cichorii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNKVGMFYTYWSTEWMVDFPATAKRIAGLGFDLMEISLGEFHNLSDAKKR
ELKAVADDLGLTVMCSIGLKSEYDFASPDKSVRDAGTEYVKRLLDDCHLL
GAPVFAGLTFCAWPQSPPLDMKDKRPYVDRAIESVRRVIKVAEDYGIIYA
LEVVNRFEQWLCNDAKEAIAFADAVDSPACKVQLDTFHMNIEETSFRDAI
LACKGKMGHFHLGEANRLPPGEGRLPWDEIFGALKEIGYDGTIVMEPFMR
KGGSVSRAVGVWRDMSNGATDEEMDERARRSLQFVRDKLAGSRS
Ligand information
Ligand IDTGJ
InChIInChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h4-7,9-11H,2H2,1H3/t4-,5-,6+/m0/s1
InChIKeyIXDZFGATLNCIOI-HCWXCVPCSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)[CH](O)[CH](O)[CH](O)CO
ACDLabs 12.01CC(C(C(O)C(CO)O)O)=O
OpenEye OEToolkits 1.9.2CC(=O)C(C(C(CO)O)O)O
CACTVS 3.385CC(=O)[C@H](O)[C@H](O)[C@@H](O)CO
OpenEye OEToolkits 1.9.2CC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O
FormulaC6 H12 O5
Name1-deoxy-L-tagatose
ChEMBLCHEMBL4435392
DrugBank
ZINC
PDB chain5j8l Chain A Residue 403 [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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PDB5j8l X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates
Resolution1.73 Å
Binding residue
(original residue number in PDB)		W15 S37 I67 G68
Binding residue
(residue number reindexed from 1)		W15 S37 I67 G68
Annotation score2
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:5j8l, PDBe:5j8l, PDBj:5j8l
PDBsum5j8l
PubMed27368739
UniProtO50580|DT3E_PSECI D-tagatose 3-epimerase

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