Structure of PDB 4ytu Chain A Binding Site BS03

Receptor Information
>4ytu 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 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 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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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)		W15 S37 I67 W113
Binding residue
(residue number reindexed from 1)		W15 S37 I67 W113
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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