Structure of PDB 1hyt Chain A Binding Site BS03

Receptor Information

>1hyt Chain A (length=316) Species: 1427 (Bacillus thermoproteolyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ITGTSTVGVGRGVLGDQKNINTTYSTYYYLQDNTRGDGIFTYDAKYRTTL
PGSLWADADNQFFASYDAPAVDAHYYAGVTYDYYKNVHNRLSYDGNNAAI
RSSVHYSQGYNNAFWNGSEMVYGDGDGQTFIPLSGGIDVVAHELTHAVTD
YTAGLIYQNESGAINEAISDIFGTLVEFYANKNPDWEIGEDVYTPGISGD
SLRSMSDPAKYGDPDHYSKRYTGTQDNGGVHINSGIINKAAYLISQGGTH
YGVSVVGIGRDKLGKIFYRALTQYLTPTSNFSQLRAAAVQSATDLYGSTS
QEVASVKQAFDAVGVK

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

1hyt Chain A Residue 803 [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	1hyt Redetermination and refinement of the complex of benzylsuccinic acid with thermolysin and its relation to the complex with carboxypeptidase A.
Resolution	1.7 Å
Binding residue (original residue number in PDB)	D57 D59 Q61
Binding residue (residue number reindexed from 1)	D57 D59 Q61
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	H142 E143 H146 Y157 E166 D226 H231
Catalytic site (residue number reindexed from 1)	H142 E143 H146 Y157 E166 D226 H231
Enzyme Commision number	3.4.24.27: thermolysin.

Gene Ontology

	Molecular Function
GO:0004222	metalloendopeptidase activity

	Biological Process
GO:0006508	proteolysis

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Molecular Function

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Biological Process

External links

PDB	RCSB:1hyt, PDBe:1hyt, PDBj:1hyt
PDBsum	1hyt
PubMed	8034637
UniProt	P00800\|THER_BACTH Thermolysin (Gene Name=npr)

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