MolNFT v1 · #177520 · protein + DNA + RNA

Structure of a protein from bacteria

7EL1 · CRISPR-associated endonuclease CAS9: “Structure of a protein from bacteria”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #177520 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7EL1
Type: protein + DNA + RNA
Length: 1,239 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CRISPR-associated endonuclease CAS9; RNA (73-mer); DNA (28-mer); DNA…
EC: 3.1.-.-
UniProt: J7RUA5
Pockets: 20 · best druggability 0.84

Structure

x-ray diffraction · 5 distinct chains · 42% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	CRISPR-associated endonuclease CAS9 (EC 3.1.-.-)	protein	1033	44% helix, 15% strand	J7RUA5
B	RNA (73-mer)	rna	72	—	—
C	DNA (28-mer)	dna	28	—	—
D	DNA (5'-D(TPTPGPAPAPTPAPG)-3')	dna	8	—	—
E	100AA	protein	98	28% helix, 36% strand	—

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	710	0.84	0.88	54	empty
2	753	0.77	0.81	61	empty
3	277	0.77	0.90	32	empty
4	929	0.74	0.78	47	empty
5	166	0.65	0.86	33	empty

Interfaces

6 interfaces between chains.

A–B · 5160 Å² buried · 139 hydrogen bonds · protein-nucleic
A–C · 1765 Å² buried · 23 hydrogen bonds · protein-nucleic
B–C · 992 Å² buried · 83 hydrogen bonds · nucleic-nucleic
A–E · 877 Å² buried · 16 hydrogen bonds · protein-protein
A–D · 704 Å² buried · 10 hydrogen bonds · protein-nucleic

Compared structures

7EL1 · Structure of a protein from bacteria · the same entry in another collection · chain A against A, TM-score 1.00
J7RUA5 · AlphaFold monomer V2.0 prediction for CRISPR-associated endonuclease CAS9 (J7RUA5) · a predicted model of the same protein · chain A against A, TM-score 0.88

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 J7RUA5
Elsewhere: RCSB PDB 7EL1 · PDBe 7EL1 · UniProt J7RUA5

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