8OHO

Deposited: 2023-03-21 Released: 2024-04-03
Deposition Author(s): Garbers, T.B., Neumann, P., Wollenhaupt, J., Weiss, M.S., Ficner, R.
Funding Organization(s): German Research Foundation (DFG)

Experimental Data Snapshot

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.0 of the entry. See complete history.

Literature

Macromolecule Content

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Cyclic di-AMP synthase CdaA	A, B	154	Bacillus subtilis subsp. subtilis str. 168	Mutation(s): 0 Gene Names: cdaA, ybbP, BSU01750 EC: 2.7.7.85
UniProt
Find proteins for Q45589 (Bacillus subtilis (strain 168)) Explore Q45589 Go to UniProtKB: Q45589
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q45589
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 3 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
REG Query on REG Download Ideal Coordinates CCD File SDF format, chain D [auth B] MOL2 format, chain D [auth B] mmCIF format, chain D [auth B]	D [auth B]	1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea C₁₁ H₂₀ N₂ O₂ GZCFMEFTVSKHDE-JTQLQIEISA-N		Interactions Focus chain D [auth B] Interactions & Density Focus chain D [auth B]
TBJ (Subject of Investigation/LOI) Query on TBJ Download Ideal Coordinates CCD File SDF format, chain C [auth A] MOL2 format, chain C [auth A] mmCIF format, chain C [auth A]	C [auth A]	N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea C₁₁ H₂₀ N₂ O₂ GZCFMEFTVSKHDE-SNVBAGLBSA-N		Interactions Focus chain C [auth A] Interactions & Density Focus chain C [auth A]
MG Query on MG Download Ideal Coordinates CCD File SDF format, chain E [auth B] MOL2 format, chain E [auth B] mmCIF format, chain E [auth B]	E [auth B]	MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N		Interactions Focus chain E [auth B] Interactions & Density Focus chain E [auth B]