Structure of PDB 4pfh Chain A Binding Site BS03

Receptor Information
>4pfh Chain A (length=298) Species: 36746 (Pseudomonas cichorii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNKVGMFYTYWSTEWMVDFPATAKRIAGLGFDLMEINLEEFHNLSDAKKR
ELKAVADDLGLTVMCCIGLKSEYDFASPDKSVRDAGTEYVKRLLDDCHLL
GAPVFAGLNFCAWPQHPPLDMVDKRPYVDRAIESVRRVIKVAEDYGIIYA
LEVVNRYEQWLCNDAKEAIAFADAVDSPACKVQLDTFHMNIEENSFRDAI
LACKGKMGVFHIGEQNRLPPGEGRLPWDEIFGALKEIGYDGTIVMEPFMR
TGGSVGRDVCVWRDLSNGATDEEMDERARRSLQFVRDKLALEHHHHHH
Ligand information
Ligand IDFUD
InChIInChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1
InChIKeyBJHIKXHVCXFQLS-UYFOZJQFSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO
ACDLabs 10.04O=C(C(O)C(O)C(O)CO)CO
OpenEye OEToolkits 1.5.0C(C(C(C(C(=O)CO)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)C(=O)CO
FormulaC6 H12 O6
NameD-fructose
ChEMBLCHEMBL1232863
DrugBank
ZINCZINC000001532049
PDB chain4pfh Chain A Residue 504 [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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PDB4pfh Directed Divergent Evolution of a Thermostable D-Tagatose Epimerase towards Improved Activity for Two Hexose Substrates.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N37 E152 E158 H188 H211 R217 E246
Binding residue
(residue number reindexed from 1)		N37 E152 E158 H188 H211 R217 E246
Annotation score5
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:4pfh, PDBe:4pfh, PDBj:4pfh
PDBsum4pfh
PubMed25655925
UniProtO50580|DT3E_PSECI D-tagatose 3-epimerase

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