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Crystal structure of CAS12I2 binary complex

Analyse Crystal structure of CAS12I2 binary complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6LTP
Type: protein + RNA
Length: 1,927 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CAS12I2; Crrna (56-mer RNA)
Pockets: 20 · best druggability 0.84

Structure

x-ray diffraction · 3 distinct chains · 48% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	CAS12I2	protein	920	49% helix, 15% strand	—
B, H	Crrna (56-mer RNA)	rna	42	—	—
G	CAS12I2	protein	923	47% helix, 15% strand	—

Pockets

20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1180	0.84	0.85	104	empty
2	1030	0.84	0.85	91	empty
3	857	0.77	0.81	87	empty
4	1007	0.77	0.79	103	empty
5	502	0.59	0.74	20	empty

Interfaces

6 interfaces between chains.

A–B · 4029 Å² buried · 104 hydrogen bonds · protein-nucleic
H–G · 4029 Å² buried · 110 hydrogen bonds · protein-nucleic
A–G · 1331 Å² buried · 18 hydrogen bonds · protein-protein
B–H · 380 Å² buried · 18 hydrogen bonds · nucleic-nucleic
A–H · 20 Å² buried · 0 hydrogen bonds · protein-nucleic

Compared structures

6LTP · Crystal structure of Cas12i2 binary complex · 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 6LTP · PDBe 6LTP

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