Structure of PDB 3stp Chain A Binding Site BS01

Receptor Information

>3stp Chain A (length=390) Species: 384765 (Roseibium aggregatum IAM 12614)

MKIKSVRTRVWTWKGPTVPPQGNFCTNASDALWMKGDAMSSFRFHQWLTC
EVETEDGTIGIGNAALAPSVVKKVIDDWYAPLVIGEDPFDYAYIWEKMYR
RSHAWGRKGIGMTAISAIDIAIWDLMGKLVGKPVFKLLGGRTKDRIPVYY
SKLYAGSIEAMQKEAEEAMKGGYKAFKSRFGYGPKDGMPGMRENLKRVEA
VREVIGYDNDLMLECYMGWNLDYAKRMLPKLAPYEPRWLEEPVIADDVAG
YAELNAMNIVPISGGEHEFSVIGCAELINRKAVSVLQYDTNRVGGITAAQ
KINAIAEAAQIPVIPHAGQMHNYHLTMANTNCPISEYFPVFDVEVGNELF
YYIFEGDPEAVDGYLQLDDDLPGLGIAISDKHLQHFDITE

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3stp Chain A Residue 391

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3stp Crystal structure of a putative galactonate dehydratase
• Resolution: 1.88 Å
• Binding residue (original residue number in PDB): E214 E240 E266
• Binding residue (residue number reindexed from 1): E214 E240 E266
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): L66 S69 S151 K177 R179 P189 E214 Y216 E240 G265 E266 H267 Q287 D289 I311 H316 E336 F341
• Catalytic site (residue number reindexed from 1): L66 S69 S151 K177 R179 P189 E214 Y216 E240 G265 E266 H267 Q287 D289 I311 H316 E336 F341

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0016836 hydro-lyase activity
• GO:0046872 metal ion binding
• GO:0050032 L-rhamnonate dehydratase activity

Biological Process

• GO:0016052 carbohydrate catabolic process

External links

• PDB: RCSB:3stp, PDBe:3stp, PDBj:3stp
• PDBsum: 3stp
• UniProt: A0NP48