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Crystal structure of type III-a CRISPR csm complex

Analyse Crystal structure of type III-a CRISPR csm complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6IFN
Type
protein + RNA
Length
2,313 residues
Chains
9
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Type III-a CRISPR-associated protein CSM1; Type III-a CRISPR-associated ramp protein…
UniProt
A0A2U2M0F3, A0A2U2M035, A0A2U2M037, A0A2U2M049, A0A2U2M038
Ligands
ZN, MN
Pockets
20 · best druggability 0.82

Structure

x-ray diffraction · 8 distinct chains · 40% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AType III-a CRISPR-associated protein CSM1protein73351% helix, 14% strandA0A2U2M0F3
F, GType III-a CRISPR-associated ramp protein CSM3protein22028% helix, 30% strandA0A2U2M035
BType III-a CRISPR-associated ramp protein CSM4protein29723% helix, 29% strandA0A2U2M037
EType III-a CRISPR-associated ramp protein CSM3protein21929% helix, 31% strandA0A2U2M035
CType III-a CRISPR-associated protein CSM2protein12470% helix, 2% strandA0A2U2M049
DType III-a CRISPR-associated protein CSM2protein12367% helix, 3% strandA0A2U2M049
HType III-a CRISPR-associated ramp protein CSM5protein34523% helix, 23% strandA0A2U2M038
NRNA (32-mer)rna32——

Ligands and binding sites

  • ZN · Zinc ion · metal · chains A
  • MN · Manganese (II) ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18390.820.85120empty
21620.820.9742empty
31900.810.9636empty
42180.790.9342empty
52140.780.9231empty

Interfaces

23 interfaces between chains.

  • A–B · 1678 Ų buried · 26 hydrogen bonds · protein-protein
  • B–E · 1560 Ų buried · 20 hydrogen bonds · protein-protein
  • B–N · 1443 Ų buried · 33 hydrogen bonds · protein-nucleic
  • F–E · 1419 Ų buried · 15 hydrogen bonds · protein-protein
  • F–G · 1346 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 6IFN · Crystal structure of Type III-A CRISPR Csm complex · the same entry in another collection · chain A against A, TM-score 1.00

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