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MolNFT v1 · #120045 · protein

Crystal structure of anti-CRISPR protein ACRF3

5GNF · Uncharacterized protein ACRF3: “Crystal structure of anti-CRISPR protein ACRF3”. X-ray diffraction, 1 ligand (CA), 4 pockets (best druggability 0.58). MolNFT v1 #120045 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5GNF
Type
protein
Length
272 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein ACRF3
UniProt
L7P7R7
Ligands
CA
Pockets
4 · best druggability 0.58

Structure

x-ray diffraction · 2 distinct chains · 68% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized protein ACRF3protein13766% helix, 0% strandL7P7R7
BUncharacterized protein ACRF3protein13570% helix, 1% strandL7P7R7

Ligands and binding sites

  • CA · Calcium ion · metal · 3 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11870.580.8128CA
2690.330.7616empty
3650.310.7517empty
4500.260.7414empty

Interfaces

1 interface between chains.

  • A–B · 849 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 5GNF · Crystal structure of anti-CRISPR protein AcrF3 · the same entry in another collection · chain A against A, TM-score 1.00

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