Structure of PDB 8ygy Chain A Binding Site BS01

Receptor Information

>8ygy Chain A (length=238) Species: 9606 (Homo sapiens)

IVGGWECEQHSQPWQAALYHFSTFQCGGILVHRQWVLTAAHCISDNYQLW
LGRHNLFDDENTAQFVHVSESFPHPGFNMSLLENHTRQADEDYSHDLMLL
RLTEPADTITDAVKVVELPTEEPEVGSTCLASGWGSIEPENFSFPDDLQC
VDLKILPNDECKKAHVQKVTDFMLCVGHLEGGKDTCVGDSGGPLMCDGVL
QGVTSWGYVPCGTPNKPSVAVRVLSYVKWIEDTIAENS

Ligand information

• Ligand ID: FUC
• InChI: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
• InChIKey: SHZGCJCMOBCMKK-SXUWKVJYSA-N
• SMILES:
  CACTVS 3.341: C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)C
  OpenEye OEToolkits 1.5.0: CC1C(C(C(C(O1)O)O)O)O
  OpenEye OEToolkits 1.5.0: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
  CACTVS 3.341: C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
• Formula: C6 H12 O5
• Name: alpha-L-fucopyranose;
  alpha-L-fucose;
  6-deoxy-alpha-L-galactopyranose;
  L-fucose;
  fucose
• ChEMBL: CHEMBL1232862
• DrugBank: DB04473
• ZINC: ZINC000001532814
• PDB chain: 8ygy Chain B Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8ygy Structure of the KLK1 from Biortus.
• Resolution: 2.401 Å
• Binding residue (original residue number in PDB): H109 Q112 E115
• Binding residue (residue number reindexed from 1): H85 Q88 E91
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.4.21.35: tissue kallikrein.

Gene Ontology

Molecular Function

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

Biological Process

• GO:0003073 regulation of systemic arterial blood pressure
• GO:0006508 proteolysis
• GO:0031638 zymogen activation

Cellular Component

• GO:0005634 nucleus
• GO:0030141 secretory granule
• GO:0070062 extracellular exosome

External links

• PDB: RCSB:8ygy, PDBe:8ygy, PDBj:8ygy
• PDBsum: 8ygy
• UniProt: P06870|KLK1_HUMAN Kallikrein-1 (Gene Name=KLK1)