Structure of PDB 4bnr Chain A Binding Site BS01

Receptor Information

>4bnr Chain A (length=237) Species: 6717 (Astacus leptodactylus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

IVGGTDATLGEFPYQLSFQETFIGFSFHFCGASIYNENYAITAGHCVYGD
DYENPSGLQIVAGELDMSVNEGSEQIITVSKIILHENFDYNLLDNDISLL
KLSGSLTFNDNVAPIALPEQGHTATGDVIVTGWGTTSEGGNTPDVLQKVT
VPLVSDEDCRADYGADEILDSMICAGVPEGGKDSCQGDSGGPLAASDTGS
TYLAGIVSWGYGCARPGYPGVYTEVSYHVDWIKANAV

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

4bnr Chain A Residue 600 [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	4bnr Comparison of Complexes Formed by a Crustacean and a Vertebrate Trypsin with Bovine Pancreatic Trypsin Inhibitor - the Key to Achieving Extreme Stability?
Resolution	2.0 Å
Binding residue (original residue number in PDB)	E70 D72 V75 E77 E80
Binding residue (residue number reindexed from 1)	E64 D66 V69 E71 E74
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)	H45 D96 Q186 G187 D188 S189 G190
Enzyme Commision number	3.4.21.4: trypsin.

Gene Ontology

	Molecular Function
GO:0004252	serine-type endopeptidase activity
GO:0005515	protein binding
GO:0008236	serine-type peptidase activity
GO:0046872	metal ion binding

	Biological Process
GO:0006508	proteolysis

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Molecular Function

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Biological Process

External links

PDB	RCSB:4bnr, PDBe:4bnr, PDBj:4bnr
PDBsum	4bnr
PubMed	24034223
UniProt	Q52V24

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