Structure of PDB 4xsm Chain B Binding Site BS02

Receptor Information
>4xsm Chain B (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 IDTLZ
InChIInChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6+/m1/s1
InChIKeyFBPFZTCFMRRESA-KAZBKCHUSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
OpenEye OEToolkits 1.7.6C([C@H]([C@H]([C@H]([C@@H](CO)O)O)O)O)O
CACTVS 3.385OC[CH](O)[CH](O)[CH](O)[CH](O)CO
ACDLabs 12.01OC(C(O)CO)C(O)C(O)CO
OpenEye OEToolkits 1.7.6C(C(C(C(C(CO)O)O)O)O)O
FormulaC6 H14 O6
NameD-altritol;
D-talitol
ChEMBL
DrugBank
ZINCZINC000018010484
PDB chain4xsm Chain B 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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PDB4xsm X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S66 I67 L108 E152 H188 H211 R217 E246
Binding residue
(residue number reindexed from 1)		S66 I67 L108 E152 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:4xsm, PDBe:4xsm, PDBj:4xsm
PDBsum4xsm
PubMed27368739
UniProtO50580|DT3E_PSECI D-tagatose 3-epimerase

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