Structure of PDB 5czd Chain A Binding Site BS02

Receptor Information
>5czd Chain A (length=301) Species: 1944 (Streptomyces halstedii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATAMLFPGMGPAAFSDVGRFMVTNRYTRELLAEADDTLGYSLVDRFRQAE
GDYSEYAQIAFLVNCVALARWAEQTMDLTPRICAGASFGEKSVAAYSGAL
TFADAVRMTAGLARCMDEYFRTEHLGVVTHSFVRAPRERLDEILAELDER
GEWHEISCHIDHDFFMLTLHERNSVWLEGRLRSVGAMPLYAMRPPMHAAA
FGGLRDKAEEEVIAPLTFHDPTLPVVADQDGKVLTTGDEVRTMLLECFVR
PLRWPDVISSLQDQGVTRVCVAGPDSLFGRVGTTTRAFEVIAATPRLALQ
P
Ligand information
Ligand ID1N2
InChIInChI=1S/C10H12N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-6H2
InChIKeyZFMTZVFTWHQGNQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C1CCC(N1CCN2C(=O)CCC2=O)=O
CACTVS 3.385O=C1CCC(=O)N1CCN2C(=O)CCC2=O
OpenEye OEToolkits 1.9.2C1CC(=O)N(C1=O)CCN2C(=O)CCC2=O
FormulaC10 H12 N2 O4
Name1,1'-ethane-1,2-diyldipyrrolidine-2,5-dione
ChEMBL
DrugBank
ZINCZINC000138455635
PDB chain5czd Chain B Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5czd Structure-based analysis of the molecular interactions between acyltransferase and acyl carrier protein in vicenistatin biosynthesis.
Resolution2.34 Å
Binding residue
(original residue number in PDB)		S106 M135 C266 F267
Binding residue
(residue number reindexed from 1)		S87 M116 C247 F248
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) M28 S106 F107 L131 F220 C266
Catalytic site (residue number reindexed from 1) M9 S87 F88 L112 F201 C247
Enzyme Commision number 2.3.1.39: [acyl-carrier-protein] S-malonyltransferase.
Gene Ontology
Molecular Function
GO:0004314 [acyl-carrier-protein] S-malonyltransferase activity
GO:0016740 transferase activity
GO:0016746 acyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006633 fatty acid biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5czd, PDBe:5czd, PDBj:5czd
PDBsum5czd
PubMed26831085
UniProtQ76KY5

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