Structure of PDB 7zyj Chain k Binding Site BS01

Receptor Information

>7zyj Chain k (length=206) Species: 5689 (Leishmania tarentolae)

MAETAIAFRCKDYVMVAAAGLNAFYYIKITDAEDKITQLDTHQLVACTGE
NGPRVNFTEYIKCNLALNRMRQHGRHSSCESTANFMRNCLASAIRSREGA
YQVNCLFAGYDTPVSEDDDGVVGPQLFYMDYLGTLQAVPYGCHGYGACFV
TALLDRLWRPDLSQQEGLELMQKCCDEVKRRVIISNSYFFVKAVTKNGVE
VITAVH

Ligand information

• Ligand ID: KFC
• InChI: InChI=1S/C22H23N3O/c1-15-11-12-19-18(13-15)20(23-16-7-3-2-4-8-16)14-21(25-19)22(26)24-17-9-5-6-10-17/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,23,25)(H,24,26)
• InChIKey: YSFGQDYFFHGWOC-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: Cc1ccc2c(c1)c(cc(n2)C(=O)NC3CCCC3)Nc4ccccc4
  CACTVS 3.385: Cc1ccc2nc(cc(Nc3ccccc3)c2c1)C(=O)NC4CCCC4
• Formula: C22 H23 N3 O
• Name: ~{N}-cyclopentyl-6-methyl-4-phenylazanyl-quinoline-2-carboxamide
• ChEMBL: CHEMBL5170778
• PDB chain: 7zyj Chain l Residue 901

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7zyj Discovery of Novel Quinoline-Based Proteasome Inhibitors for Human African Trypanosomiasis (HAT).
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): F24 Y26 I29
• Binding residue (residue number reindexed from 1): F24 Y26 I29
• Annotation score: 1

Gene Ontology

Biological Process

• GO:0010498 proteasomal protein catabolic process
• GO:0051603 proteolysis involved in protein catabolic process

Cellular Component

• GO:0000502 proteasome complex
• GO:0005634 nucleus
• GO:0005737 cytoplasm
• GO:0005829 cytosol
• GO:0005839 proteasome core complex
• GO:0019774 proteasome core complex, beta-subunit complex

External links

• PDB: RCSB:7zyj, PDBe:7zyj, PDBj:7zyj
• PDBsum: 7zyj
• PubMed: 35993839
• UniProt: A0A640KTY7