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Binary 5' complex of T7 DNA polymerase with a DNA PRIMER/TEMPLATE containing a cis-syn thymine dimer on the template

Analyse Binary 5' complex of T7 DNA polymerase with a DNA PRIMER/TEMPLATE containing a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1SL1
Type
protein + DNA
Length
802 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'- D(*CP*GP*AP*AP*AP*AP*CP*GP*AP*CP*GP*GP*CP*CP*AP*GP*TP*GP*CP *CP*TP*(2DA))-3'…
EC
2.7.7.7
UniProt
P00581, P0AA25
Ligands
MG
Pockets
8 · best druggability 0.76

Structure

x-ray diffraction · 4 distinct chains · 46% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
P5'- D(*CP*GP*AP*AP*AP*AP*CP*GP*AP*CP*GP*GP*CP*CP*AP*GP*TP*GP*CP *CP*TP*(2DA))-3'dna9——
T5'-D(*CP*CP*C*(TTD) P*AP*GP*GP*CP*AP*CP*TP*GP*GP*CP*CP*GP*TP*CP*GP*TP*TP*TP*TP* CP*G)-3'dna10——
ADNA polymerase (EC 2.7.7.7)protein67848% helix, 14% strandP00581
BThioredoxin 1protein10536% helix, 28% strandP0AA25

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13470.760.8741empty
27830.740.7970MG
3590.690.9616empty
42630.650.8331empty
52850.590.7933empty

Interfaces

4 interfaces between chains.

  • A–B · 986 Ų buried · 11 hydrogen bonds · protein-protein
  • T–A · 808 Ų buried · 13 hydrogen bonds · protein-nucleic
  • P–A · 737 Ų buried · 13 hydrogen bonds · protein-nucleic
  • P–T · 465 Ų buried · 35 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 2 modified (nucleotide modification).

Compared structures

  • 1SL1 · Binary 5' complex of T7 DNA polymerase with a DNA primer/template containing a cis-syn… · the same entry in another collection · chain P against P, TM-score 1.00
  • P0AA25 · AlphaFold monomer V2.0 prediction for thioredoxin 1 (P0AA25) · a predicted model of the same protein · chain B against A, TM-score 0.98

Analyse

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