Structure of PDB 4pgl Chain D Binding Site BS03

Receptor Information
>4pgl 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]
MNKVGMFYSYWSTEWMVDFPATAKRIAGLGFDLMEISLSEFHNLSDAKKR
ELKAVADDLGLTVMCCIGLKSEYDFASPDKSVRDAGTEYVKRLLDDCHLL
GAPVFAGLNFCAWPQHPPLDMVDKRPYVDRAIESVRRVIKVAEDYGIIYA
LEAVNRYEQWLCNDAKEAIAFADAVDSPACKVHLDTFHMNIEENSFRDAI
LACKGKMGHFHLGEQNRLPPGEGRLPWDEIFGALKEIGYDGTIVIEPFMR
TGGSVSRAVCVWRDLSNGATDEEMDERARRSLQFVRDKLA
Ligand information
Ligand IDSOL
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+/m0/s1
InChIKeyBJHIKXHVCXFQLS-OTWZMJIISA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H](O)[C@@H](O)[C@H](O)C(=O)CO
ACDLabs 12.01O=C(C(O)C(O)C(O)CO)CO
OpenEye OEToolkits 1.7.0C(C(C(C(C(=O)CO)O)O)O)O
OpenEye OEToolkits 1.7.0C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)O
CACTVS 3.370OC[CH](O)[CH](O)[CH](O)C(=O)CO
FormulaC6 H12 O6
NameL-sorbose
ChEMBLCHEMBL1615232
DrugBank
ZINCZINC000090225648
PDB chain4pgl Chain D 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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PDB4pgl Directed Divergent Evolution of a Thermostable D-Tagatose Epimerase towards Improved Activity for Two Hexose Substrates.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		E152 E158 H188 H211 R217 E246
Binding residue
(residue number reindexed from 1)		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:4pgl, PDBe:4pgl, PDBj:4pgl
PDBsum4pgl
PubMed25655925
UniProtO50580|DT3E_PSECI D-tagatose 3-epimerase

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