MolNFT v1 · #153415 · protein + RNA

Crystal structure of NME1CAS9 in complex with sgrna

6JDQ · CRISPR-associated endonuclease CAS9: “Crystal structure of NME1CAS9 in complex with sgrna”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #153415 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6JDQ
Type: protein + RNA
Length: 1,186 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CRISPR-associated endonuclease CAS9; Sgrna
EC: 3.1.-.-
UniProt: C9X1G5
Pockets: 20 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	CRISPR-associated endonuclease CAS9 (EC 3.1.-.-)	protein	1069	40% helix, 16% strand	C9X1G5
B	Sgrna	rna	117	—	—

Pockets

20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1056	0.81	0.83	79	empty
2	863	0.78	0.82	57	empty
3	247	0.76	0.90	37	empty
4	408	0.63	0.78	48	empty
5	337	0.62	0.79	33	empty

Interfaces

1 interface between chains.

A–B · 5493 Å² buried · 114 hydrogen bonds · protein-nucleic

Compared structures

6JDQ · Crystal structure of Nme1Cas9 in complex with sgRNA · the same entry in another collection · chain A against A, TM-score 1.00
C9X1G5 · AlphaFold monomer V2.0 prediction for CRISPR-associated endonuclease CAS9 (C9X1G5) · a predicted model of the same protein · chain A against A, TM-score 0.91

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt C9X1G5
Elsewhere: RCSB PDB 6JDQ · PDBe 6JDQ · UniProt C9X1G5

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