Structure of PDB 8opr Chain A Binding Site BS01

Receptor Information

>8opr Chain A (length=651) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GQMAYVTDVKVSEPTKLTLTGTGLDKLSADDVTLEGDKAVAIEASTDGTS
AVVTLGGKVAPNKDLTVKVKNQSFVTKFVYEVKKLAVEKLTFDDDRAGQA
IAFKLNDEKGNADVEYLNLANHDVKFVANNLDGSPANIFEGGEATSTTGK
LAVGIKQGDYKVEVQVTKRGGLTVSNTGIITVKNLDTPASAIKNVVFALD
ADNDGVVNYGSKLSGKDFALNSQNLVVGEKASLNKLVATIAGEDKVVDPG
SISIKSSNHGIISVVNNYITAEAAGEATLTIKVGDVTKDVKFKVTTDSRK
LVSVKANPDKLQVVQNKTLPVTFVTTDQYGDPFGANTAAIKEVLPKTGVV
AEGGLDVVTTDSGSIGTKTIGVTGNDVGEGTVHFQNGNGATLGSLYVNVT
EGNVAFKNFELVSKVGQYGQSPDTKLDLNVSTTVEYQLSKYTSDRVYSDP
ENLEGYEVESKNLAVADAKIVGNKVVVTGKTPGKVDIHLTKNGATAGKAT
VEIVQETIAIKSVNFKPVQTENFVEKKINIGTVLELEKSNLDDIVKGINL
TKETQHKVRVVKSGAEQGKLYLDRNGDAVFNAGDVKLGDVTVSQTSDSAL
PNFKADLYDTLTTKYLDKGTLVFKVLKDKDVITSEIGSQAVHVNVLNNPN
L

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

8opr Chain A Residue 906 [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	8opr Structure of the EA1 surface layer of Bacillus anthracis
Resolution	1.811 Å
Binding residue (original residue number in PDB)	D411 D413 D415 V417 D428
Binding residue (residue number reindexed from 1)	D200 D202 D204 V206 D217
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:8opr, PDBe:8opr, PDBj:8opr
PDBsum	8opr
PubMed	37923757
UniProt	P94217\|SLAP2_BACAN S-layer protein EA1 (Gene Name=eag)

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