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Receptor Information

>8brs Chain B (length=524) Species: 1679168 (Bacillus sp. FJAT-27231) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SNAMIIGAKKSKSGNALLFSGPQVGFVAPGFLYEVGLHSPGFDMEGSGFI
GYPFIMFGANQHLALTATAGYGNVTDIFEEKLNPANSTQYFYKGKWRNME
KRTETFIVRGKSKKIEETFFHTVHGPVISLDAAANVAYSKSWSFRGTEAK
SIQAYMKANWAKNVKEFQQAASEFTMSLNWYYADKKGNIAYYHVGKYPIR
SNQIDDRFPTPGTGEYEWKGFQSFAKNPQAINPKKGYVVNWNNKPSKYWR
NGEYSIVWGKDNRVQQFINGIEARGKVDLKDLNEINYTASFAQLRTHYFK
PLLIKTLEKYQSENKEYAYLVEQLRKWNNLKEDKNHDGYYDAGVAAFFDE
WWNNTHDKLFNDSLGIVSDLTREITDHRMGATLAYKVLSGEPTNYQWKSA
AAAELIILESTDEALAKLHKEKGEEADKWRAPIKTMTFGAKSLIAIPHGY
GSKTEIIEMNRGSENHYIEMTPKQPEGFNVTPPGQIGFIHKDGTLSEHYE
DQLSLYANWKFKPFLFDKKDVKRA

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

8brs Chain B Residue 606 [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	8brs Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Resolution	1.2 Å
Binding residue (original residue number in PDB)	N73 T75 D76 E256
Binding residue (residue number reindexed from 1)	N73 T75 D76 E253
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0016787	hydrolase activity

	Biological Process
GO:0017000	antibiotic biosynthetic process

PDB	RCSB:8brs, PDBe:8brs, PDBj:8brs
PDBsum	8brs
PubMed
UniProt	A0A0K9H482

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Structure of PDB 8brs Chain B Binding Site BS05