Structure of PDB 1a0j Chain A Binding Site BS01

Receptor Information
>1a0j Chain A (length=223) Species: 8030 (Salmo salar) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVGGYECRKNSASYQASLQSGYHFCGGSLISSTWVVSAAHCYKSRIQVRL
GEHNIAVNEGTEQFIDSVKVIMHPSYNSRNLDNDIMLIKLSKPASLNSYV
STVALPSSCASSGTRCLVSGWGNLSGSSSNYPDTLRCLDLPILSSSSCNS
AYPGQITSNMFCAGFMEGGKDSCQGDSGGPVVCNGQLQGVVSWGYGCAQR
NKPGVYTKVCNYRSWISSTMSSN
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1a0j Chain A Residue 247 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1a0j Structure of a non-psychrophilic trypsin from a cold-adapted fish species.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E70 N72 V75 E77 E80
Binding residue
(residue number reindexed from 1)		E52 N54 V57 E59 E62
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H57 D102 Q192 G193 D194 S195 G196
Catalytic site (residue number reindexed from 1) H40 D84 Q174 G175 D176 S177 G178
Enzyme Commision number 3.4.21.4: trypsin.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
GO:0007586 digestion
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

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Biological Process
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Cellular Component
External links
PDB RCSB:1a0j, PDBe:1a0j, PDBj:1a0j
PDBsum1a0j
PubMed9757092
UniProtP35033|TRY3_SALSA Trypsin-3 (Fragment)

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