Structure of PDB 6y8p Chain A Binding Site BS01

Receptor Information

>6y8p Chain A (length=158) Species: 9606 (Homo sapiens)

DCEMKRTTLDSPLGKLELSGCEQGLHEIIFLGKGPEPLMQATAWLNAYFH
QPEAIEEFPVPALHHPVFQQESFTRQVLWKLLKVVKFGEVISYSHLAALA
GNPAATAAVKTALSGNPVPILIPCHRVVQGDLDVGGYEGGLAVKEWLLAH
EGHRLGKR

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: 6y8p Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6y8p Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): C5 C24 H29 H85
• Binding residue (residue number reindexed from 1): C2 C21 H26 H64
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y114 N137 C145 H146 E172
• Catalytic site (residue number reindexed from 1): Y93 N116 C124 H125 E151
• Enzyme Commision number: 2.1.1.63: methylated-DNA--[protein]-cysteine S-methyltransferase.

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0003824 catalytic activity
• GO:0003908 methylated-DNA-[protein]-cysteine S-methyltransferase activity
• GO:0008168 methyltransferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006259 DNA metabolic process
• GO:0006281 DNA repair
• GO:0032259 methylation

Cellular Component

• GO:0005634 nucleus

External links

• PDB: RCSB:6y8p, PDBe:6y8p, PDBj:6y8p
• PDBsum: 6y8p
• PubMed: 34339177
• UniProt: E5BBQ0