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DNA polymerase sliding clamp from escherichia COLI with peptide 8 bound

Analyse DNA polymerase sliding clamp from escherichia COLI with peptide 8 bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7AZF
Type
protein
Length
1,490 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta sliding clamp; Peptide 8
UniProt
A0A073FMV0
Ligands
SGK, GLN
Pockets
16 · best druggability 0.73

Structure

x-ray diffraction · 3 distinct chains · 22% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BBeta sliding clampprotein36922% helix, 45% strandA0A073FMV0
C, DBeta sliding clampprotein36822% helix, 44% strandA0A073FMV0
H, I, J, KPeptide 8protein40% helix, 0% strand—

Ligands and binding sites

  • SGK · 2-(pyridin-2-ylmethylamino)ethanoic acid · ligand · 4 copies · chains A, D, H, B, C, I, J, K
  • GLN · Glutamine · ligand · 4 copies · chains A, D, H, B, C, I, J, K
  • GOL · Glycerol · additive · chains A
  • PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18370.730.7865empty
28070.690.7561SGK, GLN
37460.680.7552SGK, GLN
45430.670.7855SGK, GLN
55670.670.7752empty

Interfaces

14 interfaces between chains.

  • C–D · 1379 Ų buried · 28 hydrogen bonds · protein-protein
  • A–B · 1375 Ų buried · 26 hydrogen bonds · protein-protein
  • A–D · 568 Ų buried · 4 hydrogen bonds · protein-protein
  • B–C · 538 Ų buried · 4 hydrogen bonds · protein-protein
  • A–H · 438 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 7AZF · DNA polymerase sliding clamp from Escherichia coli with peptide 8 bound · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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