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Human DNA polymerase lambda L431A mutant- MgdCTP binary and complex with 6 paired DNA

Analyse Human DNA polymerase lambda L431A mutant- MgdCTP binary and complex with 6… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5CR0
Type
protein + DNA
Length
501 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.75
Source
Homo sapiens; SYNTHETIC CONSTRUCT
Molecule
DNA polymerase lambda; DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'); DNA (5'-D(P*GP*TP*AP*CP*TP*G)-3')
EC
2.7.7.7
UniProt
Q9UGP5
Ligands
DCP, MG
Pockets
4 · best druggability 0.71

Structure

x-ray diffraction · resolution 2.75 · 4 distinct chains · 41% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA polymerase lambda (EC 2.7.7.7)protein24643% helix, 21% strandQ9UGP5
BDNA polymerase lambda (EC 2.7.7.7)protein24340% helix, 22% strandQ9UGP5
PDNA (5'-D(*CP*AP*GP*TP*AP*C)-3')dna6——
TDNA (5'-D(P*GP*TP*AP*CP*TP*G)-3')dna6——

Ligands and binding sites

  • DCP · 2'-deoxycytidine-5'-triphosphate · ligand · chains B
  • MG · Magnesium ion · metal · chains B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11590.710.9026empty
26550.670.7662empty
3680.470.8317empty
41200.390.7425DCP

Interfaces

4 interfaces between chains.

  • A–T · 582 Ų buried · 5 hydrogen bonds · protein-nucleic
  • A–B · 532 Ų buried · 4 hydrogen bonds · protein-protein
  • A–P · 520 Ų buried · 17 hydrogen bonds · protein-nucleic
  • P–T · 287 Ų buried · 26 hydrogen bonds · nucleic-nucleic

Compared structures

  • 5CR0 · Human DNA polymerase lambda L431A mutant- mgdctp binary and complex with 6 paired DNA · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UGP5 · AlphaFold monomer V2.0 prediction for DNA polymerase lambda (Q9UGP5) · a predicted model of the same protein · chain A against A, TM-score 0.98

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