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DNA polymerase sliding clamp from escherichia COLI with peptide 43 bound

Analyse DNA polymerase sliding clamp from escherichia COLI with peptide 43 bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7AZ8
Type
protein
Length
741 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta sliding clamp; Peptide 43
UniProt
A0A073FMV0
Ligands
TCA, GLN
Pockets
4 · best druggability 0.35

Structure

x-ray diffraction · 3 distinct chains · 22% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta sliding clampprotein36622% helix, 45% strandA0A073FMV0
BBeta sliding clampprotein36522% helix, 46% strandA0A073FMV0
H, IPeptide 43protein50% helix, 0% strand—

Ligands and binding sites

  • TCA · Phenylethylenecarboxylic acid · ligand · 2 copies · chains A, H, B, I
  • GLN · Glutamine · ligand · 2 copies · chains A, H, B, I
  • PEG · Di(hydroxyethyl)ether · additive · 6 copies · chains A, B
  • GOL · Glycerol · additive · 5 copies · chains A, B
  • 1PE · Pentaethylene glycol · additive · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1890.350.7516empty
2680.290.7319empty
3630.290.7420empty
4530.260.7418GOL

Interfaces

3 interfaces between chains.

  • A–B · 1321 Ų buried · 29 hydrogen bonds · protein-protein
  • B–I · 477 Ų buried · 2 hydrogen bonds · protein-protein
  • A–H · 453 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 7AZ8 · DNA polymerase sliding clamp from Escherichia coli with peptide 43 bound · the same entry in another collection · chain A against A, TM-score 1.00

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