Structure of PDB 1rqb Chain A Binding Site BS01

Receptor Information
>1rqb Chain A (length=472) Species: 1752 (Propionibacterium freudenreichii subsp. shermanii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PREIEVSEPREVGITELVLRDAHQSLMATRMAMEDMVGACADIDAAGYWS
VECWGGATYDSCIRFLNEDPWERLRTFRKLMPNSRLQMLLRGQNLLGYRH
YNDEVVDRFVDKSAENGMDVFRVFDAMNDPRNMAHAMAAVKKAGKHAQGT
ICYTISPVHTVEGYVKLAGQLLDMGADSIALKDMAALLKPQPAYDIIKAI
KDTYGQKTQINLHCHSTTGVTEVSLMKAIEAGVDVVDTAISSMSLGPGHN
PTESVAEMLEGTGYTTNLDYDRLHKIRDHFKAIRPKYKKFESKTLVDTSI
FKSQIPGGMLSNMESQLRAQGAEDKMDEVMAEVPRVRKAAGFPPLVTPSS
QIVGTQAVFNVMMGEYKRMTGEFADIMLGYYGASPADRDPKVVKLAEEQS
GKKPITQRPADLLPPEWEKQSKEAATLKGFNGTDEDVLTYALFPQVAPVF
FEHRAEGPHSVALTDAQLKAEA
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain1rqb Chain A Residue 529 [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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PDB1rqb Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D23 K184 H215 H217
Binding residue
(residue number reindexed from 1)		D21 K182 H213 H215
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D23 D127 K184 H215 H217 T349
Catalytic site (residue number reindexed from 1) D21 D125 K182 H213 H215 T347
Enzyme Commision number 2.1.3.1: methylmalonyl-CoA carboxytransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
GO:0047154 methylmalonyl-CoA carboxytransferase activity

View graph for
Molecular Function
External links
PDB RCSB:1rqb, PDBe:1rqb, PDBj:1rqb
PDBsum1rqb
PubMed15329673
UniProtQ70AC7|5S_PROFR Methylmalonyl-CoA carboxyltransferase 5S subunit

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