Structure of PDB 1pq8 Chain A Binding Site BS02

Receptor Information

>1pq8 Chain A (length=224) Species: 5507 (Fusarium oxysporum)

IVGGTSASAGDFPFIVSISRNGGPWCGGSLLNANTVLTAAHCVSGYAQSG
FQIRAGSLSRTSGGITSSLSSVRVHPSYSGNNNDLAILKLSTSIPSGGNI
GYARLAASGSDPVAGSSATVAGWGATSEGGSSTPVNLLKVTVPIVSRATC
RAQYGTSAITNQMFCAGVSSGGKDSCQGDSGGPIVDSSNTLIGAVSWGNG
CARPNYSGVYASVGALRSFIDTYA

Ligand information

• Ligand ID: LYS
• InChI: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1
• InChIKey: KDXKERNSBIXSRK-YFKPBYRVSA-O
• SMILES:
  CACTVS 3.341: N[CH](CCCC[NH3+])C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CCCC[NH3+]
  OpenEye OEToolkits 1.5.0: C(CC[NH3+])C[C@@H](C(=O)O)N
  CACTVS 3.341: N[C@@H](CCCC[NH3+])C(O)=O
  OpenEye OEToolkits 1.5.0: C(CC[NH3+])CC(C(=O)O)N
• Formula: C6 H15 N2 O2
• Name: LYSINE
• PDB chain: 1pq8 Chain A Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1pq8 Trypsin Revisited: CRYSTALLOGRAPHY AT (SUB) ATOMIC RESOLUTION AND QUANTUM CHEMISTRY REVEALING DETAILS OF CATALYSIS.
• Resolution: 1.0 Å
• Binding residue (original residue number in PDB): H56 C191 Q192 S195 S211 W212 G213 G215
• Binding residue (residue number reindexed from 1): H41 C176 Q177 S180 S196 W197 G198 G200
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H56 D99 Q192 G193 D194 S195 G196
• Catalytic site (residue number reindexed from 1): H41 D84 Q177 G178 D179 S180 G181
• Enzyme Commision number: 3.4.21.4: trypsin.

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0008236 serine-type peptidase activity

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:1pq8, PDBe:1pq8, PDBj:1pq8
• PDBsum: 1pq8
• PubMed: 12937176
• UniProt: P35049|TRYP_FUSOX Trypsin