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DNA polymerase sliding clamp from escherichia COLI with peptide 18 bound

Analyse DNA polymerase sliding clamp from escherichia COLI with peptide 18 bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7AZE
Type
protein
Length
740 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta sliding clamp; Peptide 18
UniProt
A0A073FMV0
Ligands
SJ8, GLN
Pockets
5 · best druggability 0.35

Structure

x-ray diffraction · 3 distinct chains · 21% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta sliding clampprotein36821% helix, 46% strandA0A073FMV0
BBeta sliding clampprotein36421% helix, 45% strandA0A073FMV0
H, IPeptide 18protein40% helix, 0% strand—

Ligands and binding sites

  • SJ8 · (~{E})-3-(4-fluorophenyl)prop-2-enoic acid · ligand · 2 copies · chains A, H, B, I
  • GLN · Glutamine · ligand · 2 copies · chains A, H, B, I
  • 1PE · Pentaethylene glycol · additive · 3 copies · chains A, B, I
  • GOL · Glycerol · additive · 2 copies · chains A, B
  • MLI · Malonate ion · additive · chains A

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

Pockets

5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1820.350.7514empty
2700.310.7418empty
3560.280.7421empty
4500.280.7518empty
5590.270.7316empty

Interfaces

3 interfaces between chains.

  • A–B · 1305 Ų buried · 30 hydrogen bonds · protein-protein
  • B–I · 443 Ų buried · 2 hydrogen bonds · protein-protein
  • A–H · 421 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent, 2 modified (covalent ligand, nonstandard).

Compared structures

  • 7AZE · DNA polymerase sliding clamp from Escherichia coli with peptide 18 bound · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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