Structure of PDB 1iwd Chain A Binding Site BS01

Receptor Information

>1iwd Chain A (length=215) Species: 52861 (Tabernaemontana divaricata)

LPSFVDWRSKGAVNSIKNQKQCGSCWAFSAVAAVESINKIRTGQLISLSE
QELVDCDTASHGCNGGWMNNAFQYIITNGGIDTQQNYPYSAVQGSCKPYR
LRVVSINGFQRVTRNNESALQSAVASQPVSVTVEAAGAPFQHYSSGIFTG
PCGTAQNHGVVIVGYGTQSGKNYWIVRNSWGQNWGNQGYIWMERNVASSA
GLCGIAQLPSYPTKA

Ligand information

• Ligand ID: THJ
• InChI: InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: DHCDFWKWKRSZHF-UHFFFAOYSA-L
• SMILES:
  CACTVS 3.341: [O-][S]([S-])(=O)=O
  OpenEye OEToolkits 1.5.0: [O-]S(=O)(=O)[S-]
  ACDLabs 10.04: [O-]S([S-])(=O)=O
• Formula: O3 S2
• Name: THIOSULFATE
• PDB chain: 1iwd Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1iwd Proposed amino acid sequence and the 1.63 A X-ray crystal structure of a plant cysteine protease, ervatamin B: Some insights into the structural basis of its stability and substrate specificity
• Resolution: 1.63 Å
• Binding residue (original residue number in PDB): G23 C25 N157 H158
• Binding residue (residue number reindexed from 1): G23 C25 N157 H158
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Q19 C25 H158 N178
• Catalytic site (residue number reindexed from 1): Q19 C25 H158 N178
• Enzyme Commision number: 3.4.22.-

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:0005576 extracellular region
• GO:0005615 extracellular space
• GO:0005764 lysosome

External links

• PDB: RCSB:1iwd, PDBe:1iwd, PDBj:1iwd
• PDBsum: 1iwd
• PubMed: 12784208
• UniProt: P60994|ERVB_TABDI Ervatamin-B