Structure of PDB 2cha Chain G Binding Site BS01

Receptor Information
>2cha Chain G (length=97) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANTPDRLQQASLPLLSNTNCKKYWGTKIKDAMICAGASGVSSCMGDSGGP
LVCKKNGAWTLVGIVSWGSSTCSTSTPGVYARVTALVNWVQQTLAAN
Ligand information
Ligand IDTSU
InChIInChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
InChIKeyJOXIMZWYDAKGHI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Cc1ccc(cc1)[S](O)(=O)=O
ACDLabs 12.01O=S(=O)(O)c1ccc(cc1)C
OpenEye OEToolkits 1.7.0Cc1ccc(cc1)S(=O)(=O)O
FormulaC7 H8 O3 S
NamePARA-TOLUENE SULFONATE
ChEMBLCHEMBL541253
DrugBankDB03120
ZINCZINC000006427042
PDB chain2cha Chain G Residue 51 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2cha Structure of crystalline -chymotrypsin. V. The atomic structure of tosyl- -chymotrypsin at 2 A resolution.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S190 C191 M192 S195 W215 G216
Binding residue
(residue number reindexed from 1)		S42 C43 M44 S47 W67 G68
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G193 S195 G196
Catalytic site (residue number reindexed from 1) G45 S47 G48
Enzyme Commision number 3.4.21.1: chymotrypsin.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:2cha, PDBe:2cha, PDBj:2cha
PDBsum2cha
PubMed5069789
UniProtP00766|CTRA_BOVIN Chymotrypsinogen A

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