Structure of PDB 8cqf Chain A Binding Site BS09

Receptor Information

>8cqf Chain A (length=448) Species: 228 (Pseudoalteromonas haloplanktis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

HPTTFVHLFEWNWQDVAQECEQYLGPKGYAAVQVSPPNEHITGSQWWTRY
QPVSYELQSRGGNRAQFIDMVNRCSAVGVDIYVDTLINHMAAGSGTGTAG
NSFGNKSFPIYSPQDFHESCTINNSDYGNDRYRVQNCELVGLADLDTASN
YVQNTIAAYINDLQAIGVKGFRFDASKHVAASDIQSLMAKVNGSPVVFQE
VIDLGGEAIKSSEYLSTGLVTEFKYGAKLGTVFRNGSLAWLSNFGEGWGF
MPSSSAVVFVDNHDNQRGHGGSSILTFEDGRLYDLANVFMLAYPYGYPRV
MSSYDFHGNDWAGGPNVPVHNNGNLECFASNWKCEHRWSYIAGGVDFRNN
TADNWAVTNWWDNTNNQISFGRGSSGHMAINKEDSTLTATVQTDMASGQY
CNVLKGELSADAKSCSGEVITVNSDGTINLNIGAWDAMAIHKNAKLGA

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

8cqf Chain A Residue 503 [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	8cqf Computational design of the temperature optimum of an enzyme reaction.
Resolution	2.05 Å
Binding residue (original residue number in PDB)	N88 Q135 D144 H178
Binding residue (residue number reindexed from 1)	N88 Q135 D144 H178
Annotation score	4

Enzymatic activity

Enzyme Commision number

3.2.1.1: alpha-amylase.

Gene Ontology

	Molecular Function
GO:0003824	catalytic activity
GO:0004556	alpha-amylase activity
GO:0043169	cation binding

	Biological Process
GO:0005975	carbohydrate metabolic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:8cqf, PDBe:8cqf, PDBj:8cqf
PDBsum	8cqf
PubMed	37379391
UniProt	P29957\|AMY_PSEHA Alpha-amylase (Gene Name=amy)

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