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Crystal structure of the E. COLI clamp loader bound to primer-template DNA and psi peptide

Analyse Crystal structure of the E. COLI clamp loader bound to primer-template DNA and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3GLI
Type
protein + DNA
Length
3,623 residues
Chains
16
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase III subunit delta; DNA polymerase III subunit tau; DNA polymerase III…
EC
2.7.7.7
UniProt
P28630, P06710, P28631, P28632
Ligands
ADP, BEF, ZN, MG
Pockets
20 · best druggability 0.87

Structure

x-ray diffraction · 10 distinct chains · 56% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA polymerase III subunit delta (EC 2.7.7.7)protein33355% helix, 11% strandP28630
BDNA polymerase III subunit tau (EC 2.7.7.7)protein35956% helix, 9% strandP06710
C, HDNA polymerase III subunit tau (EC 2.7.7.7)protein36556% helix, 8% strandP06710
D, IDNA polymerase III subunit tau (EC 2.7.7.7)protein36259% helix, 7% strandP06710
E, JDNA polymerase III subunit delta' (EC 2.7.7.7)protein33455% helix, 9% strandP28631
FDNA polymerase III subunit delta (EC 2.7.7.7)protein33455% helix, 11% strandP28630
GDNA polymerase III subunit tau (EC 2.7.7.7)protein37355% helix, 9% strandP06710
K, MDNA (5'-D(*TP*TP*TP*TP*TP*TP*AP*TP*AP*GP*GP*CP*CP*AP*G)- 3')dna14——
L, NDNA (5'-D(*CP*TP*GP*GP*CP*CP*TP*AP*TP*A)-3')dna10——
O, PDNA polymerase III subunit psi (EC 2.7.7.7)protein2744% helix, 15% strandP28632

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 6 copies · chains B, C, D, E, G, H, I, J
  • BEF · Beryllium trifluoride ion · ligand · 6 copies · chains B, C, D, E, G, H, I, J
  • ZN · Zinc ion · metal · 8 copies · chains B, C, D, E, G, H, I, J
  • MG · Magnesium ion · metal · 6 copies · chains B, C, D, E, G, H, I, J

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111020.870.88114empty
210310.830.84102empty
38660.820.8591empty
41340.810.9730empty
51190.800.9727empty

Interfaces

48 interfaces between chains.

  • G–H · 2841 Ų buried · 34 hydrogen bonds · protein-protein
  • B–C · 2604 Ų buried · 35 hydrogen bonds · protein-protein
  • H–I · 2475 Ų buried · 31 hydrogen bonds · protein-protein
  • C–D · 2422 Ų buried · 31 hydrogen bonds · protein-protein
  • I–J · 2374 Ų buried · 31 hydrogen bonds · protein-protein

Compared structures

  • 3GLI · Crystal Structure of the E. coli clamp loader bound to Primer-Template DNA and Psi Peptide · the same entry in another collection · chain G against G, TM-score 1.00

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