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MolNFT v1 · #122030 · protein + RNA

Structure of CPF1/RNA complex

5ID6: “Structure of CPF1/RNA complex”. X-ray diffraction, 1 ligand (MG), 12 pockets (best druggability 0.70). MolNFT v1 #122030 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5ID6
Type
protein + RNA
Length
1,230 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CPF1; RNA (5'- R(P*AP*AP*UP*UP*UP*CP*UP*AP*CP*UP*AP*AP*GP*UP*GP*UP*AP*GP*AP*UP*C)- 3')
Ligands
MG
Pockets
12 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACPF1protein120947% helix, 13% strand—
GRNA (5'- R(P*AP*AP*UP*UP*UP*CP*UP*AP*CP*UP*AP*AP*GP*UP*GP*UP*AP*GP*AP*UP*C)- 3')rna21——

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A, G

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

Pockets

12 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16090.700.7853empty
26820.680.7763empty
33270.620.7935MG
42450.500.7537empty
51210.490.7915empty

Interfaces

1 interface between chains.

  • A–G · 2614 Ų buried · 54 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 19 modified (engineered).

Compared structures

  • 5ID6 · Structure of Cpf1/RNA Complex · the same entry in another collection · chain A against A, TM-score 1.00

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