Structure of PDB 5xd8 Chain B Binding Site BS01

Receptor Information
>5xd8 Chain B (length=367) Species: 1116375 (Vibrio sp. EJY3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKTTIKDIKTRLFKIPLKEILSDAKHGDHDHFELITTTVTLEDGSQGTGY
TYTGGKGGYSIKAMLEYDIQPALIGKDATQIEEIYDFMEWHIHYVGRGGI
STFAMSAVDIALWDLKGKREGLPLWKMAGGKNNTCKAYCGGIDLQFPLEK
LLNNICGYLESGFNAVKIKIGRENMQEDIDRIKAVRELIGPDITFMIDAN
YSLTVEQAIKLSKAVEQYDITWFEEPTLPDDYKGFAEIADNTAIPLAMGE
NLHTIHEFGYAMDQAKLGYCQPDASNCGGITGWLKAADLITEHNIPVCTH
GMQELHVSLVSAFDTGWLEVHSFPIDEYTKRPLVVENFRAVASNEPGIGV
EFDWDKIAQYEVHHHHH
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5xd8 Chain B Residue 401 [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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PDB5xd8 Crystal structure analysis of 3,6-anhydro-l-galactonate cycloisomerase suggests emergence of novel substrate specificity in the enolase superfamily
Resolution2.505 Å
Binding residue
(original residue number in PDB)		D198 E224 E250
Binding residue
(residue number reindexed from 1)		D198 E224 E250
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S22 T53 G140 K167 K169 D198 N200 E224 G249 E250 Q271 D273 H300 G301 M302 W317 E319 P324
Catalytic site (residue number reindexed from 1) S22 T53 G140 K167 K169 D198 N200 E224 G249 E250 Q271 D273 H300 G301 M302 W317 E319 P324
Enzyme Commision number 5.5.1.25: 3,6-anhydro-L-galactonate cycloisomerase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016836 hydro-lyase activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding
Biological Process
GO:0016052 carbohydrate catabolic process
GO:0019388 galactose catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5xd8, PDBe:5xd8, PDBj:5xd8
PDBsum5xd8
PubMed28716734
UniProtH2IFX0|ACI_VIBSJ 3,6-anhydro-alpha-L-galactonate cycloisomerase (Gene Name=Vejaci)

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