Structure of PDB 3tcs Chain A Binding Site BS01

Receptor Information

>3tcs Chain A (length=366) Species: 375451 (Roseobacter denitrificans OCh 114)

MKLKAIETFTNDAVGFVRVTTQDGAQGWGQVSTYHADITCTVLHRQVAPW
MLGQDITDLDDLLDIVTEREHKFPGSYLRRAMAGVDTAIWDLRGKQQGKP
VAEVLGGTPGLIRAYASSMKRDITPRDEAERLKRLRDTQGFTAFKVRAGA
EVGRNRDEWPGRTEEIIPTMRRELGDDVDLLIDANSCYTPDRAIEVGHML
QDHGFCHFEEPCPYWELAQTKQVTDALDIDVTGGEQDCDLPTWQRMIDMR
AVDIVQPDILYLGGICRTLRVVEMARAAGLPVTPHCANWSLVTLFTMHLL
RAIPNAGKYLEFSIEGPDYYPWQEGLFVKTPYEIEDGHARVTDAPGWGVE
ISPEWLARSQYQSSEI

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: 3tcs Chain A Residue 368

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3tcs Crystal structure of a putative racemase from Roseobacter denitrificans
• Resolution: 1.88 Å
• Binding residue (original residue number in PDB): D183 E209 E235
• Binding residue (residue number reindexed from 1): D183 E209 E235
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): R18 V31 T33 G75 S76 S117 K145 R147 D157 D183 N185 E209 D230 G234 E235 Q256 D258 H285 A287 N288 K308 E311 I314 G316
• Catalytic site (residue number reindexed from 1): R18 V31 T33 G75 S76 S117 K145 R147 D157 D183 N185 E209 D230 G234 E235 Q256 D258 H285 A287 N288 K308 E311 I314 G316

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0016836 hydro-lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0016052 carbohydrate catabolic process

External links

• PDB: RCSB:3tcs, PDBe:3tcs, PDBj:3tcs
• PDBsum: 3tcs
• UniProt: Q161M1