Structure of PDB 2eek Chain A Binding Site BS01

Receptor Information

>2eek Chain A (length=220) Species: 8049 (Gadus morhua) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

IVGGYECTKHSQAHQVSLNSGYHFCGGSLVSKDWVVSAAHCYKSVLRVRL
GEHHIRVNEGTEQYISSSSVIRHPNYSSYNINNDIMLIKLTKPATLNQYV
HAVALPTECAADATMCTVSGWGNTMSSVADGDKLQCLSLPILSHADCANS
YPGMITQSMFCAGYLEGGKDSCQGDSGGPVVCNGVLQGVVSWGYGCAERD
HPGVYAKVCVLSGWVRDTMA

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

2eek Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	2eek Crystal structure of Atlantic cod trypsin complexed with benzamidine
Resolution	1.85 Å
Binding residue (original residue number in PDB)	E70 H72 V75 E77 E80
Binding residue (residue number reindexed from 1)	E52 H54 V57 E59 E62
Annotation score	4

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 Q173 G174 D175 S176 G177
Enzyme Commision number	3.4.21.4: trypsin.

Gene Ontology

	Molecular Function
GO:0004252	serine-type endopeptidase activity
GO:0008236	serine-type peptidase activity

	Biological Process
GO:0006508	proteolysis
GO:0007586	digestion

	Cellular Component
GO:0005576	extracellular region
GO:0005615	extracellular space

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Cellular Component

External links

PDB	RCSB:2eek, PDBe:2eek, PDBj:2eek
PDBsum	2eek
PubMed
UniProt	P16049\|TRY1_GADMO Trypsin-1

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