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Receptor Information

>8brq Chain B (length=525) 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
KRTETFIVRGGKSKKIEETFFHTVHGPVISLDAAANVAYSKSWSFRGTEA
KSIQAYMKANWAKNVKEFQQAASEFTMSLNWYYADKKGNIAYYHVGKYPI
RSNQIDDRFPTPGTGEYEWKGFQSFAKNPQAINPKKGYVVNWNNKPSKYW
RNGEYSIVWGKDNRVQQFINGIEARGKVDLKDLNEINYTASFAQLRTHYF
KPLLIKTLEKYQSENKEYAYLVEQLRKWNNLKEDKNHDGYYDAGVAAFFD
EWWNNTHDKLFNDSLGIVSDLTREITDHRMGATLAYKVLSGEPTNYQWKS
AAAAEKIILESTDEALAKLHKEKGEEADKWRAPIKTMTFGAKSLIAIPHG
YGSKTEIIEMNRGSENHYIEMTPKQPEGFNVTPPGQIGFIHKDGTLSEHY
EDQLSLYANWKFKPFLFDKKDVKRA

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

8brq 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	8brq Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Resolution	1.63 Å
Binding residue (original residue number in PDB)	D336 N338 D340 Y342 D344
Binding residue (residue number reindexed from 1)	D334 N336 D338 Y340 D342
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0016787	hydrolase activity

	Biological Process
GO:0017000	antibiotic biosynthetic process

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

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Structure of PDB 8brq Chain B Binding Site BS04