Structure of PDB 8ec3 Chain A Binding Site BS01

Receptor Information

>8ec3 Chain A (length=155) Species: 1867252 (Borrelia hermsii HS1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

STGSEYYDQLKKAEKDIDSAFKILEKLKKDRDQVELQGTSEDRATAQAKL
NQFSKAKLVQELKDLLEKIDKNAKLTIDNAVEDFSETPQSNYVTEADKSL
YLAKDKLYDLIKAVESSANTYDAYAKRTGIGHGSKFSEVENHLKDAKSLI
KKALK

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mg+2]
CACTVS 3.341	[Mg++]

Formula

Name

MAGNESIUM ION

PDB chain

8ec3 Chain A Residue 401 [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	8ec3 Conformational dynamics of C1r inhibitor proteins from Lyme disease and relapsing fever spirochetes".
Resolution	1.5 Å
Binding residue (original residue number in PDB)	D239 H351
Binding residue (residue number reindexed from 1)	D32 H132
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:8ec3, PDBe:8ec3, PDBj:8ec3
PDBsum	8ec3
PubMed	37380082
UniProt	G9BXS5

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