Structure of PDB 3ioq Chain A Binding Site BS02

Receptor Information

>3ioq Chain A (length=213) Species: 35926 (Vasconcellea cundinamarcensis)

IPTSIDWRQKGAVTPVRNQGGCGSCWTFSSVAAVEGINKIVTGQLLSLSE
QELLDCERRSYGCRGGFPLYALQYVANSGIHLRQYYPYEGVQRQCRASQA
KGPKVKTDGVGRVPRNNEQALIQRIAIQPVSIVVEAKGRAFQNYRGGIFA
GPCGTSIDHAVAAVGYGNDYILIKNSWGTGWGEGGYIRIKRGSGNPQGAC
GVLSDSVFPTKNR

Ligand information

• Ligand ID: SO4
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: [O-]S(=O)(=O)[O-]
  CACTVS 3.341: [O-][S]([O-])(=O)=O
  ACDLabs 10.04: [O-]S([O-])(=O)=O
• Formula: O4 S
• Name: SULFATE ION
• DrugBank: DB14546
• PDB chain: 3ioq Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ioq Purufication, crystallization and preliminary X-ray analysis of CMS1MS2: a cysteine proteinase from Carica candamarcensis latex
• Resolution: 1.87 Å
• Binding residue (original residue number in PDB): P15 R17 S47 R83
• Binding residue (residue number reindexed from 1): P15 R17 S47 R83
• Annotation score: 3

Enzymatic activity

• Catalytic site (original residue number in PDB): Q19 C25 H159 N175
• Catalytic site (residue number reindexed from 1): Q19 C25 H159 N175

Gene Ontology

Molecular Function

• GO:0004197 cysteine-type endopeptidase activity
• GO:0008234 cysteine-type peptidase activity

Biological Process

• GO:0006508 proteolysis
• GO:0051603 proteolysis involved in protein catabolic process

Cellular Component

• GO:0005615 extracellular space
• GO:0005764 lysosome

External links

• PDB: RCSB:3ioq, PDBe:3ioq, PDBj:3ioq
• PDBsum: 3ioq
• UniProt: Q84XA1