Structure of PDB 4yts Chain D Binding Site BS01

Receptor Information
>4yts Chain D (length=290) 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
KGGSVSRAVGVWRDMSNGATDEEMDERARRSLQFVRDKLA
Ligand information
Ligand IDTGS
InChIInChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3-4,6-9,11H,2H2,1H3/t3-,4+,6-/m0/s1
InChIKeyUCLAXLMTPFNPGE-RPDRRWSUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2C[C@@H](C(=O)[C@H]([C@@H](CO)O)O)O
ACDLabs 12.01CC(O)C(C(C(CO)O)O)=O
CACTVS 3.385C[CH](O)C(=O)[CH](O)[CH](O)CO
CACTVS 3.385C[C@H](O)C(=O)[C@@H](O)[C@H](O)CO
OpenEye OEToolkits 1.9.2CC(C(=O)C(C(CO)O)O)O
FormulaC6 H12 O5
Name1-deoxy-D-xylo-hex-3-ulose;
1-deoxy 3-keto-D-galactitol
ChEMBL
DrugBank
ZINC
PDB chain4yts Chain D Residue 401 [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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PDB4yts X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates
Resolution2.14 Å
Binding residue
(original residue number in PDB)		S116 F157
Binding residue
(residue number reindexed from 1)		S116 F157
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:4yts, PDBe:4yts, PDBj:4yts
PDBsum4yts
PubMed27368739
UniProtO50580|DT3E_PSECI D-tagatose 3-epimerase

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