Structure of PDB 6ztk Chain A Binding Site BS01

Receptor Information
>6ztk Chain A (length=108) Species: 34613 (Ixodes ricinus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GWKTQDPTNPKFENLAHYAVSTQVEGREYYDTVLELLEVQTQIVAGVNYK
LKFTTTQSTCKIESGVEYSKELCQPKTNKVEAVCTSIIYTVPWQNIKRVL
SYHCDAPN
Ligand information
Ligand IDTRT
InChIInChI=1S/C21H36O4/c1-20(2,3)17-21(4,5)18-7-9-19(10-8-18)25-16-15-24-14-13-23-12-11-22-6/h7-10H,11-17H2,1-6H3
InChIKeyHEUDUECKTWTQQR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOC
CACTVS 3.341COCCOCCOCCOc1ccc(cc1)C(C)(C)CC(C)(C)C
OpenEye OEToolkits 1.5.0CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC
FormulaC21 H36 O4
NameFRAGMENT OF TRITON X-100;
1-{2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY}-4-(1,1,3,3-TETRAMETHYLBUTYL)BENZENE
ChEMBL
DrugBankDB02080
ZINCZINC000005885272
PDB chain6ztk Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6ztk Mialostatin, a Novel Midgut Cystatin from Ixodes ricinus Ticks: Crystal Structure and Regulation of Host Blood Digestion.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		W14 Q54 Y101 R110 L112
Binding residue
(residue number reindexed from 1)		W2 Q42 Y89 R98 L100
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004869 cysteine-type endopeptidase inhibitor activity

View graph for
Molecular Function
External links
PDB RCSB:6ztk, PDBe:6ztk, PDBj:6ztk
PDBsum6ztk
PubMed34065290
UniProtV5H924

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