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ACA1 in complex with 19BP palindromic DNA substrate

Analyse ACA1 in complex with 19BP palindromic DNA substrate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7VJM
Type
protein + DNA
Length
184 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Anti-CRISPR-associated protein ACA1; DNA (5'- D(*AP*TP*TP*AP*GP*GP*CP*AP*CP*AP*TP*TP*GP*TP…
UniProt
L7P845
Pockets
3 · best druggability 0.62

Structure

x-ray diffraction · 4 distinct chains · 58% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BAnti-CRISPR-associated protein ACA1protein7258% helix, 0% strandL7P845
AAnti-CRISPR-associated protein ACA1protein7358% helix, 0% strandL7P845
DDNA (5'- D(*AP*TP*TP*AP*GP*GP*CP*AP*CP*AP*TP*TP*GP*TP*GP*CP*CP*TP*AP*T)-3')dna20——
CDNA (5'- D(*TP*AP*TP*AP*GP*GP*CP*AP*CP*AP*AP*TP*GP*TP*GP*CP*CP*TP*AP*A)-3')dna19——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13220.620.7935empty
2860.370.7615empty
3570.280.7517empty

Interfaces

6 interfaces between chains.

  • D–C · 821 Ų buried · 62 hydrogen bonds · nucleic-nucleic
  • B–A · 707 Ų buried · 3 hydrogen bonds · protein-protein
  • A–C · 516 Ų buried · 15 hydrogen bonds · protein-nucleic
  • B–D · 422 Ų buried · 11 hydrogen bonds · protein-nucleic
  • A–D · 329 Ų buried · 5 hydrogen bonds · protein-nucleic

Compared structures

  • 7VJM · Aca1 in complex with 19bp palindromic DNA substrate · the same entry in another collection · chain B against B, TM-score 1.00

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