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Structure paper

TitleThe structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Journal, issue, pagesNat Commun, Vol. 15, Page 4012-4012, Year 2024
Publish dateAug 29, 2022 (structure data deposition date)
AuthorsWu, S. / Gabelli, S.B. / Sohn, J.
External linksNat Commun / PubMed:38740774
MethodsX-ray diffraction
Resolution1.71 - 2.81 Å
Structure data

PDB-8eae:
Structure of Ternary Complex of cGAS with dsDNA and Bound 5-pppG(2,5)pI
Method: X-RAY DIFFRACTION / Resolution: 2.56 Å

PDB-8g10:
Structure of Ternary Complex of cGAS with dsDNA and Bound ITP and GTP
Method: X-RAY DIFFRACTION / Resolution: 2.47 Å

PDB-8g1j:
Structure of Ternary Complex of cGAS with dsDNA and Bound ATP and ITP
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-8g23:
Structure of Ternary Complex of cGAS with dsDNA and Bound pppIpA
Method: X-RAY DIFFRACTION / Resolution: 2.71 Å

PDB-8gim:
Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+
Method: X-RAY DIFFRACTION / Resolution: 2.63 Å

PDB-8gin:
Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.015mM Mn2+
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

PDB-8gio:
Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.1mM Mn2+
Method: X-RAY DIFFRACTION / Resolution: 2.67 Å

PDB-8gip:
Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.040mM Mn2+
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-8gir:
Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.2mM Mn2+
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-8gis:
Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.5mM Mn2+
Method: X-RAY DIFFRACTION / Resolution: 2.46 Å

PDB-8git:
Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 1mM Mn2+
Method: X-RAY DIFFRACTION / Resolution: 2.72 Å

PDB-8shk:
Structure of binary complex of mouse cGAS and bound ATP
Method: X-RAY DIFFRACTION / Resolution: 1.71 Å

PDB-8shu:
Structure of mouse cGAS
Method: X-RAY DIFFRACTION / Resolution: 1.71 Å

PDB-8shy:
Structure of binary complex of mouse cGAS QN and bound ATP
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

PDB-8shz:
Structure of human cGAS
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-8si0:
Structure of binary complex of human cGAS and bound cGAMP
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-8sj0:
Structure of ternary complex of cGAS with dsDNA and bound 2'-dATP
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

PDB-8sj1:
Structure of ternary complex of cGAS with dsDNA and bound 3'-dATP
Method: X-RAY DIFFRACTION / Resolution: 2.81 Å

PDB-8sj2:
Structure of ternary complex of cGAS with dsDNA and bound ATP and 2'-dGTP
Method: X-RAY DIFFRACTION / Resolution: 2.23 Å

PDB-8sj8:
Structure of binary complex of human cGAS and bound ppp(2'-5')GpG
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-8skt:
Structure of ternary complex of mouse cGAS with dsDNA and bound ATP with 5 mM Mn2+
Method: X-RAY DIFFRACTION / Resolution: 2.69 Å

Chemicals

ChemComp-VLO:
[[(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})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER / Water

ChemComp-GTP:
GUANOSINE-5'-TRIPHOSPHATE / GTP, energy-carrying molecule*YM / Guanosine triphosphate

ChemComp-ATP:
ADENOSINE-5'-TRIPHOSPHATE / ATP, energy-carrying molecule*YM / Adenosine triphosphate

ChemComp-VWX:
[[(2~{R},3~{R},4~{R},5~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

ChemComp-MN:
Unknown entry

ChemComp-1SY:
cGAMP / Cyclic guanosine monophosphate–adenosine monophosphate

ChemComp-DTP:
2'-DEOXYADENOSINE 5'-TRIPHOSPHATE / Deoxyadenosine triphosphate

ChemComp-3AT:
3'-DEOXYADENOSINE-5'-TRIPHOSPHATE / Deoxyadenosine triphosphate

ChemComp-DGT:
2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE / Deoxyguanosine triphosphate

ChemComp-OKR:
[[(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

Source
  • mus musculus (house mouse)
  • dna molecule (others)
  • synthetic construct (others)
  • homo sapiens (human)
KeywordsTRANSFERASE/DNA / Transferase-DNA complex / cGAS / pppG(2 / 5)pI / IMMUNE SYSTEM / IMMUNE SYSTEM/DNA / ATP and ITP / TRANSFERASE / intermediate / IMMUNE SYSTEM-DNA complex / ATP and divalent metal / ATP and divalent metal ion / ligands

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