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DNA polymerase sliding clamp from escherichia COLI with peptide 20 bound

Analyse DNA polymerase sliding clamp from escherichia COLI with peptide 20 bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7AZD
Type
protein
Length
1,479 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta sliding clamp; Peptide 20
UniProt
A0A073FMV0
Ligands
SGZ, GLN
Pockets
10 · best druggability 0.71

Structure

x-ray diffraction · 5 distinct chains · 21% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta sliding clampprotein36721% helix, 46% strandA0A073FMV0
BBeta sliding clampprotein36521% helix, 45% strandA0A073FMV0
CBeta sliding clampprotein36821% helix, 45% strandA0A073FMV0
DBeta sliding clampprotein36321% helix, 46% strandA0A073FMV0
H, I, J, KPeptide 20protein40% helix, 0% strand—

Ligands and binding sites

  • SGZ · 2-naphthalen-1-ylethanal · ligand · 4 copies · chains A, C, H, J, B, D, I, K
  • GLN · Glutamine · ligand · 4 copies · chains A, H, B, D, I, C, J, K
  • PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, B, C
  • 1PE · Pentaethylene glycol · additive · 2 copies · chains A, B, C

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

Pockets

10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111140.710.7593PEG, SGZ, GLN
211380.710.751111PE, SGZ, GLN
35930.630.7449SGZ, GLN
45810.620.7465empty
53610.550.7453PEG

Interfaces

12 interfaces between chains.

  • A–D · 1335 Ų buried · 29 hydrogen bonds · protein-protein
  • B–C · 1298 Ų buried · 36 hydrogen bonds · protein-protein
  • C–J · 468 Ų buried · 6 hydrogen bonds · protein-protein
  • D–K · 449 Ų buried · 3 hydrogen bonds · protein-protein
  • A–H · 446 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 covalent, 4 modified (covalent ligand, nonstandard).

Compared structures

  • 7AZD · DNA polymerase sliding clamp from Escherichia coli with peptide 20 bound · the same entry in another collection · chain A against A, TM-score 1.00

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