Structure of PDB 4ytu Chain D Binding Site BS02

Receptor Information
>4ytu Chain D (length=292) 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
KGGSVSRAVGVWRDMSNGATDEEMDERARRSLQFVRDKLAGS
Ligand information
Ligand IDLER
InChIInChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m0/s1
InChIKeyUQPHVQVXLPRNCX-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C(O)C(C(CO)O)=O
OpenEye OEToolkits 1.9.2C([C@@H](C(=O)CO)O)O
CACTVS 3.385OC[CH](O)C(=O)CO
OpenEye OEToolkits 1.9.2C(C(C(=O)CO)O)O
CACTVS 3.385OC[C@H](O)C(=O)CO
FormulaC4 H8 O4
NameL-Erythrulose;
(3S)-1,3,4-trihydroxybutan-2-one
ChEMBL
DrugBank
ZINCZINC000000901231
PDB chain4ytu Chain D Residue 402 [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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PDB4ytu X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E152 E158 H188 H211 R217 E246
Binding residue
(residue number reindexed from 1)		E152 E158 H188 H211 R217 E246
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:4ytu, PDBe:4ytu, PDBj:4ytu
PDBsum4ytu
PubMed27368739
UniProtO50580|DT3E_PSECI D-tagatose 3-epimerase

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