Structure of PDB 4cwm Chain B Binding Site BS01

Receptor Information

>4cwm Chain B (length=256) Species: 3702 (Arabidopsis thaliana)

WGKEGHEIICKIAQTRLDETAAKAVKELLPESAEGDLSSLCLWADRVKFR
YHWSSPLHYINTPDACSYQYNRDCKDESGEKGRCVAGAIYNYTTQLLSYK
SQYNLTEALLFVSHFMGDIHQPLHVSYASDKGGNTIEVHWYTRKANLHHI
WDSNIIETAEADLYNSALEGMVDALKKNITTEWADQVKRWETCTKTACPD
IYASEGIQAACDWAYKGVTEGDTLEDEYFYSRLPIVYQRLAQGGVRLAAT
LNRIFG

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: 4cwm Chain B Residue 431

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4cwm Structural Insights of the Ssdna Binding Site in the Multifunctional Endonuclease Atbfn2 from Arabidopsis Thaliana.
• Resolution: 2.09 Å
• Binding residue (original residue number in PDB): D45 H58 H120 D124
• Binding residue (residue number reindexed from 1): D45 H58 H114 D118
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): W1 H6 D45 K48 H58 H120 D124 H130 H154 D158
• Catalytic site (residue number reindexed from 1): W1 H6 D45 K48 H58 H114 D118 H124 H148 D152
• Enzyme Commision number: 3.1.30.1: Aspergillus nuclease S1.

Gene Ontology

Molecular Function

• GO:0000014 single-stranded DNA endodeoxyribonuclease activity
• GO:0003676 nucleic acid binding
• GO:0004519 endonuclease activity
• GO:0004521 RNA endonuclease activity
• GO:0016788 hydrolase activity, acting on ester bonds
• GO:0043765 T/G mismatch-specific endonuclease activity
• GO:0046872 metal ion binding
• GO:1990238 double-stranded DNA endonuclease activity

Biological Process

• GO:0006308 DNA catabolic process

External links

• PDB: RCSB:4cwm, PDBe:4cwm, PDBj:4cwm
• PDBsum: 4cwm
• PubMed: 25157844
• UniProt: Q9C9G4|ENDO2_ARATH Endonuclease 2 (Gene Name=ENDO2)