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MolNFT v1 · #169789 · protein + RNA

Structure of the lactococcus lactis csm apo- CRISPR-CAS complex

6XN5 · CRISPR-associated protein CSM3: “Structure of the lactococcus lactis csm apo- CRISPR-CAS complex”. Electron microscopy, 20 pockets (best druggability 0.79). MolNFT v1 #169789 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6XN5
Type
protein + RNA
Length
2,131 residues
Chains
8
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CRISPR-associated protein CSM3; CRISPR-associated protein CAS10; CRISPR-associated…
UniProt
L0CEA3, L0CEJ3, L0CFH1, L0CG31
Pockets
20 · best druggability 0.79

Structure

electron microscopy · 7 distinct chains · 33% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
I, GCRISPR-associated protein CSM3protein21423% helix, 25% strandL0CEA3
FCRISPR-associated protein CSM3protein20726% helix, 32% strandL0CEA3
HCRISPR-associated protein CSM3protein20825% helix, 26% strandL0CEA3
ACRISPR-associated protein CAS10protein73550% helix, 12% strandL0CEJ3
BCRISPR-associated protein CSM4protein28218% helix, 30% strandL0CFH1
JCRISPR-associated protein CSM5protein23920% helix, 18% strandL0CG31
RCRISPR RNArna32——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15850.790.8569empty
25280.770.8473empty
3500.730.9814empty
45020.730.8257empty
5820.730.9620empty

Interfaces

18 interfaces between chains.

  • A–B · 1572 Ų buried · 21 hydrogen bonds · protein-protein
  • B–R · 1547 Ų buried · 36 hydrogen bonds · protein-nucleic
  • H–G · 1369 Ų buried · 16 hydrogen bonds · protein-protein
  • F–B · 1368 Ų buried · 17 hydrogen bonds · protein-protein
  • I–H · 1353 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 6XN5 · Structure of the Lactococcus lactis Csm Apo- CRISPR-Cas Complex · the same entry in another collection · chain I against I, TM-score 1.00

Analyse

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