Structure of PDB 3v8e Chain A Binding Site BS02

Receptor Information

>3v8e Chain A (length=216) Species: 559292 (Saccharomyces cerevisiae S288C)

MKTLIVVDMQNDFISPLGSLTVPKGEELINPISDLMQDADRDWHRIVVTR
DWHPSRHISFAKNHKDKEPYSTYTYHSPRPGDDSTQEGILWPVHCVKNTW
GSQLVDQIMDQVVTKHIKIVDKGFLTDREYYSAFHDIWNFHKTDMNKYLE
KHHTDEVYIVGVALEYCVKATAISAAELGYKTTVLLDYTRPISDDPEVIN
KVKEELKAHNINVVDK

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3v8e Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3v8e Structural and Kinetic Isotope Effect Studies of Nicotinamidase (Pnc1) from Saccharomyces cerevisiae.
• Resolution: 2.71 Å
• Binding residue (original residue number in PDB): P16 G18 T21
• Binding residue (residue number reindexed from 1): P16 G18 T21
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D8 D51 H53 S59 H94 K122 E129 A163 C167
• Catalytic site (residue number reindexed from 1): D8 D51 H53 S59 H94 K122 E129 A163 C167
• Enzyme Commision number: 3.5.1.19: nicotinamidase.

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0008936 nicotinamidase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0000183 rDNA heterochromatin formation
• GO:0019358 nicotinate nucleotide salvage
• GO:0019363 pyridine nucleotide biosynthetic process
• GO:0031509 subtelomeric heterochromatin formation
• GO:1904524 negative regulation of DNA amplification

Cellular Component

• GO:0000781 chromosome, telomeric region
• GO:0005634 nucleus
• GO:0005737 cytoplasm
• GO:0005777 peroxisome

External links

• PDB: RCSB:3v8e, PDBe:3v8e, PDBj:3v8e
• PDBsum: 3v8e
• PubMed: 22229411
• UniProt: P53184|PNC1_YEAST Nicotinamidase (Gene Name=PNC1)