Structure of PDB 1rr2 Chain A Binding Site BS02

Receptor Information
>1rr2 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 ID2KT
InChIInChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
InChIKeyTYEYBOSBBBHJIV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCC(=O)C(O)=O
ACDLabs 12.01O=C(C(=O)O)CC
OpenEye OEToolkits 1.7.0CCC(=O)C(=O)O
FormulaC4 H6 O3
Name2-KETOBUTYRIC ACID;
2-OXOBUTANOIC ACID
ChEMBLCHEMBL171246
DrugBankDB04553
ZINCZINC000001532540
PDB chain1rr2 Chain A Residue 530 [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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PDB1rr2 Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Q26 G58 L91 K184
Binding residue
(residue number reindexed from 1)		Q24 G56 L89 K182
Annotation score2
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:1rr2, PDBe:1rr2, PDBj:1rr2
PDBsum1rr2
PubMed15329673
UniProtQ70AC7|5S_PROFR Methylmalonyl-CoA carboxyltransferase 5S subunit

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