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Cryo-EM structure of CAS12I-crrna-dsdna complex in I1 state

Analyse Cryo-EM structure of CAS12I-crrna-dsdna complex in I1 state in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6W64
Type: protein + DNA + RNA
Length: 984 residues
Chains: 3
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CAS12I; Crrna; DNA (25-mer)
Pockets: 17 · best druggability 0.77

Structure

electron microscopy · 3 distinct chains · 49% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	CAS12I	protein	928	49% helix, 11% strand	—
B	Crrna	rna	38	—	—
C	DNA (25-mer)	dna	18	—	—

Pockets

17 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	405	0.77	0.87	37	empty
2	600	0.75	0.82	41	empty
3	1021	0.72	0.76	49	empty
4	313	0.70	0.83	42	empty
5	768	0.69	0.76	62	empty

Interfaces

3 interfaces between chains.

A–B · 3945 Å² buried · 75 hydrogen bonds · protein-nucleic
A–C · 1338 Å² buried · 18 hydrogen bonds · protein-nucleic
B–C · 745 Å² buried · 56 hydrogen bonds · nucleic-nucleic

Compared structures

6W64 · Cryo-EM structure of Cas12i-crRNA-dsDNA complex in I1 state · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 6W64 · PDBe 6W64

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