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MolNFT v1 · #189037 · protein + RNA

Staphylococcus epidermidis RP62A CRISPR short effector complex with self RNA target and ATP

7V01 · CRISPR system cms endoribonuclease CSM3: “Staphylococcus epidermidis RP62A CRISPR short effector complex with self RNA target and ATP”. Electron microscopy, 1 ligand (ATP), 20 pockets (best druggability 0.88). MolNFT v1 #189037 on…

PDB
7V01
Type
protein + RNA
Length
2,183 residues
Chains
10
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CRISPR system cms endoribonuclease CSM3; CRISPR system cms protein CSM5; CRISPR system…
UniProt
Q5HK91, Q5HK93, Q5HK89, Q5HK92, Q5HK90
Ligands
ATP
Pockets
20 · best druggability 0.88

Structure

electron microscopy · 8 distinct chains · 41% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CCRISPR system cms endoribonuclease CSM3protein20527% helix, 28% strandQ5HK91
BCRISPR system cms endoribonuclease CSM3protein19227% helix, 30% strandQ5HK91
ECRISPR system cms protein CSM5protein30236% helix, 28% strandQ5HK93
FCRISPR system single-strand-specific deoxyribonuclease CAS10/CSM1 (subtype III-a)protein69353% helix, 12% strandQ5HK89
GRNA (37-mer)rna30——
HCRISPR system cms protein CSM4protein29723% helix, 22% strandQ5HK92
I, KCRISPR system cms protein CSM2protein11775% helix, 5% strandQ5HK90
URNA (37-mer)rna25——

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains F, H

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110360.880.90125empty
211150.820.83116ATP
34060.800.8943empty
44400.770.8669empty
53370.770.8837empty

Interfaces

31 interfaces between chains.

  • G–H · 1588 Ų buried · 31 hydrogen bonds · protein-nucleic
  • F–H · 1488 Ų buried · 14 hydrogen bonds · protein-protein
  • A–C · 1457 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 1412 Ų buried · 13 hydrogen bonds · protein-protein
  • A–G · 1236 Ų buried · 38 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 7V01 · Staphylococcus epidermidis RP62a CRISPR short effector complex with self RNA target and… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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