Structure of PDB 6k63 Chain C Binding Site BS01

Receptor Information

>6k63 Chain C (length=292) Species: 272620 (Klebsiella pneumoniae subsp. pneumoniae MGH 78578)

SRFQAALTTLAADLQAAIAPMLADPHFPALLEADQVATLQHATGLDEDAL
AFALLPLAAACARPDLSHFNVGAIARGVSGRWYFGGNMEFLGATMQQTVH
AEQSAISHAWLRGETSLRAITVNYTPCGHCRQFMNELNSGLALRIHLPGR
EAHALEHYLPDAFGPKDLEIKTLLMDEQDHGFPVSGDALTQAAIQAANRC
HAPYSHSPSGVALELKDGTIFSGSYAENAAFNPTLPPLQGALNLLSLNGY
DYPAIQRAILAEKADAALIQWDATVATLKALGCHNIERVLLG

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 6k63 Chain C Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6k63 Biochemical and structural analysis of the Klebsiella pneumoniae cytidine deaminase CDA.
• Resolution: 2.073 Å
• Binding residue (original residue number in PDB): H102 C129 C132
• Binding residue (residue number reindexed from 1): H100 C127 C130
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H102 E104 C129 C132
• Catalytic site (residue number reindexed from 1): H100 E102 C127 C130
• Enzyme Commision number: 3.5.4.5: cytidine deaminase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004126 cytidine deaminase activity
• GO:0008270 zinc ion binding
• GO:0016787 hydrolase activity
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding

Biological Process

• GO:0009972 cytidine deamination
• GO:0055086 nucleobase-containing small molecule metabolic process
• GO:0072527 pyrimidine-containing compound metabolic process
• GO:1901135 carbohydrate derivative metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:6k63, PDBe:6k63, PDBj:6k63
• PDBsum: 6k63
• PubMed: 31495495
• UniProt: A6TBN1|CDD_KLEP7 Cytidine deaminase (Gene Name=cdd)