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The type ie CRISPR cascade complex from E. COLI, with two assemblies in the asymmetric unit arranged back-to-back

Analyse The type ie CRISPR cascade complex from E. COLI, with two assemblies in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5CD4
Type
protein + RNA
Length
6,840 residues
Chains
24
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CRISPR system cascade subunit case; CRISPR system cascade subunit casc; CRISPR system…
EC
3.1.-.-
UniProt
Q46897, Q46899, Q46898, Q46901, P76632
Ligands
ZN
Pockets
20 · best druggability 0.85

Structure

x-ray diffraction · 22 distinct chains · 39% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACRISPR system cascade subunit case (EC 3.1.-.-)protein19920% helix, 43% strandQ46897
BCRISPR system cascade subunit cascprotein35741% helix, 18% strandQ46899
CCRISPR system cascade subunit cascprotein35638% helix, 23% strandQ46899
DCRISPR system cascade subunit cascprotein35538% helix, 24% strandQ46899
ECRISPR system cascade subunit cascprotein36238% helix, 23% strandQ46899
FCRISPR system cascade subunit cascprotein36337% helix, 23% strandQ46899
GCRISPR system cascade subunit cascprotein36238% helix, 20% strandQ46899
H, TCRISPR system cascade subunit casdprotein21916% helix, 37% strandQ46898
ICRISPR system cascade subunit casaprotein49440% helix, 16% strandQ46901
JCRISPR system cascade subunit casbprotein15663% helix, 3% strandP76632
KCRISPR system cascade subunit casbprotein15466% helix, 3% strandP76632
L, XCrrnarna61——
MCRISPR system cascade subunit case (EC 3.1.-.-)protein19223% helix, 43% strandQ46897
NCRISPR system cascade subunit cascprotein35640% helix, 19% strandQ46899
OCRISPR system cascade subunit cascprotein35138% helix, 23% strandQ46899
PCRISPR system cascade subunit cascprotein35938% helix, 23% strandQ46899
QCRISPR system cascade subunit cascprotein35938% helix, 25% strandQ46899
RCRISPR system cascade subunit cascprotein35739% helix, 23% strandQ46899
SCRISPR system cascade subunit cascprotein35339% helix, 20% strandQ46899
UCRISPR system cascade subunit casaprotein49240% helix, 16% strandQ46901
VCRISPR system cascade subunit casbprotein15265% helix, 3% strandP76632
WCRISPR system cascade subunit casbprotein15166% helix, 3% strandP76632

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains I, U

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
19650.850.86119empty
211990.820.83115empty
310420.810.83130empty
48560.790.82105empty
51710.780.9426empty

Interfaces

70 interfaces between chains.

  • S–T · 2220 Ų buried · 19 hydrogen bonds · protein-protein
  • G–H · 2204 Ų buried · 20 hydrogen bonds · protein-protein
  • D–E · 2023 Ų buried · 27 hydrogen bonds · protein-protein
  • C–D · 1989 Ų buried · 29 hydrogen bonds · protein-protein
  • R–S · 1975 Ų buried · 29 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide, 2 modified (disulfide, nucleotide modification).

Compared structures

  • 5CD4 · The Type IE CRISPR Cascade complex from E. coli, with two assemblies in the asymmetric… · the same entry in another collection · chain J against J, TM-score 1.00

Analyse

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