Structure of PDB 5m45 Chain I Binding Site BS01

Receptor Information
>5m45 Chain I (length=165) Species: 78245 (Xanthobacter autotrophicus Py2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AYTRSKIVDLVDGKIDPDTLHQMLSTPKDPERFVTYVEILQERMPWDDKI
ILPLGPKLFIVQQKVSKKWTVRCECGHDFCDWKDNWKLHARVHVRDTPQK
MEEIYPRLMAPTPSWQVIREYFCPECGTLHDVEAPTPWYPVIHDFSPDIE
GFYQEWLGLPVPERA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5m45 Chain I Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5m45 Structural Basis for the Mechanism of ATP-Dependent Acetone Carboxylation.
Resolution1.87 Å
Binding residue
(original residue number in PDB)		C74 C76 C124 C127
Binding residue
(residue number reindexed from 1)		C73 C75 C123 C126
Annotation score1
Enzymatic activity
Enzyme Commision number 6.4.1.6: acetone carboxylase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0018710 acetone carboxylase activity
Biological Process
GO:0140977 cellular detoxification of acetone

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Molecular Function
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Biological Process
External links
PDB RCSB:5m45, PDBe:5m45, PDBj:5m45
PDBsum5m45
PubMed28775283
UniProtQ8RM02|ACXC_XANP2 Acetone carboxylase gamma subunit (Gene Name=acxC)

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