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Structure of acinetobacter baumannii CAP4 SAVED/CARF-domain containing receptor with the cyclic trinucleotide 2'3'3'-caaa

Analyse Structure of acinetobacter baumannii CAP4 SAVED/CARF-domain containing receptor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6VM6
Type
protein + RNA
Length
2,641 residues
Chains
11
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Saved domain-containing protein; 2'-5'-linked cyclic RNA (5'-R(P*AP*AP*A)-3')
UniProt
C0VHC9
Ligands
SO4
Pockets
20 · best druggability 0.86

Structure

x-ray diffraction · 6 distinct chains · 45% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASaved domain-containing proteinprotein43845% helix, 21% strandC0VHC9
B, DSaved domain-containing proteinprotein44045% helix, 21% strandC0VHC9
CSaved domain-containing proteinprotein43944% helix, 21% strandC0VHC9
ESaved domain-containing proteinprotein43245% helix, 21% strandC0VHC9
FSaved domain-containing proteinprotein43745% helix, 21% strandC0VHC9
G, H, I, J, K2'-5'-linked cyclic RNA (5'-R(P*AP*AP*A)-3')rna3——

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 8 copies · chains A, B, C, D, E, F

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111820.860.87145SO4
211080.860.87134SO4
39450.820.8392empty
45860.790.8567empty
55000.760.8454empty

Interfaces

17 interfaces between chains.

  • C–D · 920 Ų buried · 11 hydrogen bonds · protein-protein
  • A–F · 910 Ų buried · 11 hydrogen bonds · protein-protein
  • B–E · 902 Ų buried · 11 hydrogen bonds · protein-protein
  • E–F · 884 Ų buried · 13 hydrogen bonds · protein-protein
  • A–C · 883 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 6VM6 · Structure of Acinetobacter baumannii Cap4 SAVED/CARF-domain containing receptor with the… · the same entry in another collection · chain K against K, TM-score 1.00
  • C0VHC9 · AlphaFold monomer V2.0 prediction for CD-ntase-associated protein 4 (C0VHC9) · a predicted model of the same protein · chain A against A, TM-score 0.95

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