Structure of PDB 5j8l Chain D Binding Site BS01

Receptor Information
>5j8l 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 IDTGK
InChIInChI=1S/C6H12O5/c1-6(10)5(9)4(8)3(7)2-11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1
InChIKeyYLWWLYACYNLGLT-KCDKBNATSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C]1(O)OC[CH](O)[CH](O)[CH]1O
ACDLabs 12.01C1(C(C(C(CO1)O)O)O)(C)O
OpenEye OEToolkits 1.9.2CC1(C(C(C(CO1)O)O)O)O
OpenEye OEToolkits 1.9.2C[C@]1([C@@H]([C@@H]([C@H](CO1)O)O)O)O
CACTVS 3.385C[C@]1(O)OC[C@H](O)[C@@H](O)[C@H]1O
FormulaC6 H12 O5
Name1-deoxy-beta-L-tagatopyranose;
1-deoxy-beta-L-tagatose;
1-deoxy-L-tagatose;
1-deoxy-tagatose
ChEMBL
DrugBank
ZINC
PDB chain5j8l 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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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)		S116 F157
Binding residue
(residue number reindexed from 1)		S116 F157
Annotation score1
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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