Structure of PDB 1xtl Chain B Binding Site BS02

Receptor Information

>1xtl Chain B (length=152) Species: 1423 (Bacillus subtilis)

AFGHHVQLVNREGKAVGFIEIKESDDEGLDIHISANSLRPGASLGFHIYE
KGSCVRPDFESAGGHFNPLNKEHGFNNPMGHHAGDLPNLEVGADGKVDVI
MNAPDTSLKKGSKLNILDEDGSAFIIHEQADDYLTNPSGNSGARIVCGAL
LG

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: 1xtl Chain B Residue 1172

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1xtl From an Inactive Prokaryotic SOD Homologue to an Active Protein through Site-Directed Mutagenesis.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H104 H112 H121 D124
• Binding residue (residue number reindexed from 1): H65 H73 H82 D85
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H86 Y88 H104 H112 H121 D124 H166 R183
• Catalytic site (residue number reindexed from 1): H47 Y49 H65 H73 H82 D85 H127 R144

Gene Ontology

Molecular Function

• GO:0004784 superoxide dismutase activity
• GO:0005507 copper ion binding
• GO:0008270 zinc ion binding
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006801 superoxide metabolic process
• GO:0019430 removal of superoxide radicals

Cellular Component

• GO:0005886 plasma membrane

External links

• PDB: RCSB:1xtl, PDBe:1xtl, PDBj:1xtl
• PDBsum: 1xtl
• PubMed: 16173759
• UniProt: O31851|YOJM_BACSU Superoxide dismutase-like protein YojM (Gene Name=yojM)