MolNFT v1 · #167637 · protein + RNA

Type I-F CRISPR-csy complex with its inhibitor ACRF9

6VQV: “Type I-F CRISPR-csy complex with its inhibitor ACRF9”. Electron microscopy, 20 pockets (best druggability 0.84). MolNFT v1 #167637 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6VQV
Type: protein + RNA
Length: 3,050 residues
Chains: 12
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ACRF9; CRISPR-associated protein CSY1; CRISPR-associated protein CSY2; CRISPR-associated…
EC: 3.1.-.-
UniProt: Q02ML9, B3G161, A0A444M080, Q02MM2
Pockets: 20 · best druggability 0.84

Structure

electron microscopy · 11 distinct chains · 21% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	ACRF9	protein	68	13% helix, 41% strand	—
C	CRISPR-associated protein CSY1	protein	422	22% helix, 8% strand	Q02ML9
D	CRISPR-associated protein CSY2	protein	306	14% helix, 33% strand	B3G161
E	CRISPR-associated protein CSY3	protein	285	23% helix, 21% strand	A0A444M080
F	CRISPR-associated protein CSY3	protein	328	25% helix, 25% strand	A0A444M080
G	CRISPR-associated protein CSY3	protein	327	25% helix, 27% strand	A0A444M080
H	CRISPR-associated protein CSY3	protein	335	24% helix, 26% strand	A0A444M080
I	CRISPR-associated protein CSY3	protein	327	25% helix, 26% strand	A0A444M080
J	CRISPR-associated protein CSY3	protein	337	23% helix, 25% strand	A0A444M080
K	CRISPR-associated endonuclease CAS6/CSY4 (EC 3.1.-.-)	protein	187	4% helix, 1% strand	Q02MM2
L	Crrna (60-mer)	rna	60	—	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1133	0.84	0.85	111	empty
2	605	0.83	0.88	76	empty
3	932	0.82	0.84	83	empty
4	497	0.82	0.89	73	empty
5	536	0.81	0.87	69	empty

Interfaces

34 interfaces between chains.

C–D · 4746 Å² buried · 51 hydrogen bonds · protein-protein
H–I · 2131 Å² buried · 31 hydrogen bonds · protein-protein
D–J · 2107 Å² buried · 24 hydrogen bonds · protein-protein
I–J · 2015 Å² buried · 39 hydrogen bonds · protein-protein
F–G · 1952 Å² buried · 30 hydrogen bonds · protein-protein

Compared structures

6VQV · Type I-F CRISPR-Csy complex with its inhibitor AcrF9 · the same entry in another collection · chain L against L, 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
Every structure of UniProt Q02ML9
Every structure of UniProt B3G161
Every structure of UniProt A0A444M080
Every structure of UniProt Q02MM2
Elsewhere: RCSB PDB 6VQV · PDBe 6VQV · UniProt Q02ML9 · UniProt B3G161 · UniProt A0A444M080 · UniProt Q02MM2

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