Structure of PDB 4pgl Chain D Binding Site BS01

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 IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4pgl Chain D Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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 D185 H211 E246
Binding residue
(residue number reindexed from 1)		E152 D185 H211 E246
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:4pgl, PDBe:4pgl, PDBj:4pgl
PDBsum4pgl
PubMed25655925
UniProtO50580|DT3E_PSECI D-tagatose 3-epimerase

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