7V0C

Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2 ,5 )pG

PDB DOI: https://doi.org/10.2210/pdb7V0C/pdb
NAKB: 7V0C

Classification: TRANSFERASE/DNA
Organism(s): Mus musculus, synthetic construct
Expression System: Mus musculus
Mutation(s): No

Deposited: 2022-05-10 Released: 2023-05-10
Deposition Author(s): Wu, S., Gabelli, S.B., Sohn, J.
Funding Organization(s): National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.57 ?
R-Value Free: 0.240
R-Value Work: 0.204
R-Value Observed: 0.206

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.1 of the entry. See complete history.

Literature

Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2 ,5 )pG

Wu, S., Gabelli, S.B., Sohn, J.S.

To be published.

Macromolecule Content

Total Structure Weight: 109.43 kDa
Atom Count: 7,355
Modelled Residue Count: 765
Deposited Residue Count: 800
Unique protein chains: 1
Unique nucleic acid chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Cyclic GMP-AMP synthase	A, B [auth C]	364	Mus musculus	Mutation(s): 0 Gene Names: Cgas, Mb21d1 EC: 2.7.7.86
UniProt & NIH Common Fund Data Resources
Find proteins for Q8C6L5 (Mus musculus) Explore Q8C6L5 Go to UniProtKB: Q8C6L5
IMPC: MGI:2442261
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q8C6L5
Sequence Annotations Expand
Reference Sequence

Find similar nucleic acids by: Sequence | 3D Structure

Entity ID: 2
Molecule	Chains	Length	Organism	Image
Palindromic DNA18	C [auth E], D [auth F], E [auth I], F [auth J]	18	synthetic construct
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 3 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
OKR (Subject of Investigation/LOI) Query on OKR Download Ideal Coordinates CCD File SDF format, chain G [auth A] SDF format, chain K [auth C] MOL2 format, chain G [auth A] MOL2 format, chain K [auth C] mmCIF format, chain G [auth A] mmCIF format, chain K [auth C]	G [auth A], K [auth C]	[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate C₂₀ H₂₈ N₁₀ O₂₁ P₄ GILDQNNERNWCKN-MHARETSRSA-N		Interactions Focus chain G [auth A] Focus chain K [auth C] Interactions & Density Focus chain G [auth A] Focus chain K [auth C]
ZN Query on ZN Download Ideal Coordinates CCD File SDF format, chain H [auth A] SDF format, chain L [auth C] MOL2 format, chain H [auth A] MOL2 format, chain L [auth C] mmCIF format, chain H [auth A] mmCIF format, chain L [auth C]	H [auth A], L [auth C]	ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N		Interactions Focus chain H [auth A] Focus chain L [auth C] Interactions & Density Focus chain H [auth A] Focus chain L [auth C]
MN (Subject of Investigation/LOI) Query on MN Download Ideal Coordinates CCD File SDF format, chain N [auth C] SDF format, chain I [auth A] SDF format, chain J [auth A] SDF format, chain M [auth C] MOL2 format, chain N [auth C] MOL2 format, chain I [auth A] MOL2 format, chain J [auth A] MOL2 format, chain M [auth C] mmCIF format, chain N [auth C] mmCIF format, chain I [auth A] mmCIF format, chain J [auth A] mmCIF format, chain M [auth C]	I [auth A], J [auth A], M [auth C], N [auth C]	MANGANESE (II) ION Mn WAEMQWOKJMHJLA-UHFFFAOYSA-N		Interactions Focus chain I [auth A] Focus chain J [auth A] Focus chain M [auth C] Focus chain N [auth C] Interactions & Density Focus chain I [auth A] Focus chain J [auth A] Focus chain M [auth C] Focus chain N [auth C]