Structure of PDB 7d2d Chain A Binding Site BS01

Receptor Information

>7d2d Chain A (length=326) Species: 6945 (Ixodes scapularis)

LKWPRDLRPLAHHDLLYMGQISEEDRGDFNATLRNFLVPRVVGSQKHREV
REFIVRSLKDLDWDVEEDCFDGQTPHGIKPFCNVIATLNPSACHRLVLAC
HYDSLLHKEGTFIGATDSAVPCAQLLYLARSLNGKLQNQKTRGDGLTLQL
VFFDGEEAFERWSSHDSLYGSRHLAQKWHEDRTSAERLESCLERSEIANQ
IDRMEVMVLLDLLGAENPRFYSYFGETQPVYRRLVNIESRLNDAGLMELP
RRRRRTNYFSNSSTVGFIEDDHIPFLKRSVPIVHIIPSPFPDVWHTLDDN
EQNLHHPTISNLNKIFKAFVSEYLQL

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 7d2d Chain A Residue 400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7d2d A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D144 E184 H322
• Binding residue (residue number reindexed from 1): D117 E157 H295
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.3.2.5: glutaminyl-peptide cyclotransferase.

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0016603 glutaminyl-peptide cyclotransferase activity
• GO:0016746 acyltransferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0017186 peptidyl-pyroglutamic acid biosynthetic process, using glutaminyl-peptide cyclotransferase

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:7d2d, PDBe:7d2d, PDBj:7d2d
• PDBsum: 7d2d
• PubMed: 33774034
• UniProt: B7QK46|QPCT_IXOSC Glutaminyl-peptide cyclotransferase (Gene Name=Qptc)