Structure of PDB 4ytr Chain C Binding Site BS02

Receptor Information
>4ytr Chain C (length=297) 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
KGGSVSRAVGVWRDMSNGATDEEMDERARRSLQFVRDKLAGSRSHHH
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 chain4ytr Chain C 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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PDB4ytr X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates
Resolution1.9 Å
Binding residue
(original residue number in PDB)		L108 W113 E152 E158 H188 R217 E246
Binding residue
(residue number reindexed from 1)		L108 W113 E152 E158 H188 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:4ytr, PDBe:4ytr, PDBj:4ytr
PDBsum4ytr
PubMed27368739
UniProtO50580|DT3E_PSECI D-tagatose 3-epimerase

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