Structure of PDB 5czc Chain A Binding Site BS01

Receptor Information

>5czc Chain A (length=300) Species: 1944 (Streptomyces halstedii)

GATAMLFPGMGPAAFSDVGRFMVTNRYTRELLAEADDTLGYSLVDRFRQA
EGDYSEYAQIAFLVNCVALARWAEQTMDLTPRICAGASFGEKSVAAYSGA
LTFADAVRMTAGLARCMDEYFRTEHLGVVTHSFVRAPRERLDEILAELDE
RGEWHEISCHIDHDFFMLTLHERNSVWLEGRLRSVGAMPLYAMRPPMHAA
AFGGLRDKAEEEVIAPLTFHDPTLPVVADQDGKVLTTGDEVRTMLLESFV
RPLRWPDVISSLQDQGVTRVCVAGPDSLFGRVGTTTRAFEVIAATPRLAL

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 5czc Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5czc Structure-based analysis of the molecular interactions between acyltransferase and acyl carrier protein in vicenistatin biosynthesis.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): R169 E171
• Binding residue (residue number reindexed from 1): R151 E153
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): M28 S106 F107 L131 F220 S266
• Catalytic site (residue number reindexed from 1): M10 S88 F89 L113 F202 S248
• 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

External links

• PDB: RCSB:5czc, PDBe:5czc, PDBj:5czc
• PDBsum: 5czc
• PubMed: 26831085
• UniProt: Q76KY5