MolNFT v1 · #138508 · protein + RNA

Crystal structure of LBACAS13A H328A (C2C2) bound to pre-crrna (24-nt spacer)

5WLH: “Crystal structure of LBACAS13A H328A (C2C2) bound to pre-crrna (24-nt spacer)”. X-ray diffraction, 1 ligand (IOD), 20 pockets (best druggability 0.88). MolNFT v1 #138508 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5WLH
Type: protein + RNA
Length: 1,331 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: LBACAS13A H328A (C2C2); Pre-crrna
Ligands: IOD
Pockets: 20 · best druggability 0.88

Structure

x-ray diffraction · 2 distinct chains · 58% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	LBACAS13A H328A (C2C2)	protein	1289	58% helix, 8% strand	—
B	Pre-crrna	rna	42	—	—

Ligands and binding sites

IOD · Iodide ion · ion · 20 copies · chains A, B
GOL · Glycerol · additive · 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, 14 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1113	0.88	0.90	118	IOD
2	165	0.82	0.97	25	empty
3	179	0.80	0.96	37	empty
4	133	0.79	0.97	28	empty
5	789	0.74	0.80	56	IOD

Interfaces

1 interface between chains.

A–B · 5839 Å² buried · 142 hydrogen bonds · protein-nucleic

Compared structures

5WLH · Crystal structure of LbaCas13a H328A (C2c2) bound to pre-crRNA (24-nt spacer) · 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 5WLH · PDBe 5WLH

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