MolNFT v1 · #120126 · protein

Cryo-EM structure of PAECAS3-ACRF3 complex

5GQH · CRISPR-associated NUCLEASE/HELICASE CAS3 subtype I-F/YPEST: “Cryo-EM structure of PAECAS3-ACRF3 complex”. Electron microscopy, 14 pockets (best druggability 0.84). MolNFT v1 #120126 on GenesisL1: 3D structure, binding sites and…

PDB: 5GQH
Type: protein
Length: 1,171 residues
Chains: 3
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CRISPR-associated NUCLEASE/HELICASE CAS3 subtype I-F/YPEST; Anti-CRISPR protein 3
EC: 3.1.-.-, 3.6.4.-
UniProt: Q02ML8, L7P7R7
Pockets: 14 · best druggability 0.84

Structure

electron microscopy · 2 distinct chains · 49% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	CRISPR-associated NUCLEASE/HELICASE CAS3 subtype I-F/YPEST (EC 3.1.-.-, 3.6.4.-)	protein	901	46% helix, 11% strand	Q02ML8
B, C	Anti-CRISPR protein 3	protein	135	70% helix, 0% strand	L7P7R7

Pockets

14 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	795	0.84	0.87	136	empty
2	736	0.83	0.86	130	empty
3	561	0.80	0.86	95	empty
4	335	0.76	0.88	72	empty
5	341	0.76	0.87	69	empty

Interfaces

3 interfaces between chains.

B–C · 742 Å² buried · 6 hydrogen bonds · protein-protein
A–B · 709 Å² buried · 5 hydrogen bonds · protein-protein
A–C · 580 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

5GQH · Cryo-EM structure of PaeCas3-AcrF3 complex · the same entry in another collection · chain A against A, TM-score 1.00
Q02ML8 · AlphaFold monomer V2.0 prediction for CRISPR-associated NUCLEASE/HELICASE CAS3 subtype… · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q02ML8
Every structure of UniProt L7P7R7
Elsewhere: RCSB PDB 5GQH · PDBe 5GQH · UniProt Q02ML8 · UniProt L7P7R7

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