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Crystal structure of K. lactis Ddc2 N-terminus in complex with S. cerevisiae Rfa1 N-OB domain

Analyse Crystal structure of K. lactis Ddc2 N-terminus in complex with S. cerevisiae… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5OMB
Type
protein
Length
448 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.94
Source
Kluyveromyces lactis (strain ATCC 8585 / CBS 2359 / DSM 70799 / NBRC 1267 /…
Molecule
Replication factor A protein 1; DNA damage checkpoint protein LCD1
UniProt
P22336, Q6CUV9
Ligands
CL
Pockets
3 · best druggability 0.41

Structure

x-ray diffraction · resolution 1.94 · 3 distinct chains · 40% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AReplication factor A protein 1protein12427% helix, 36% strandP22336
BReplication factor A protein 1protein12826% helix, 35% strandP22336
C, DDNA damage checkpoint protein LCD1protein9873% helix, 0% strandQ6CUV9

Ligands and binding sites

  • CL · Chloride ion · ion · 3 copies · chains A, B, D
  • EDO · 1,2-ethanediol · additive · chains B, C

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

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1960.410.7718EDO
2840.390.7722empty
3560.280.7412CL

Interfaces

3 interfaces between chains.

  • C–D · 2018 Ų buried · 9 hydrogen bonds · protein-protein
  • A–D · 987 Ų buried · 17 hydrogen bonds · protein-protein
  • B–C · 982 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 5OMB · Crystal structure of K. lactis DDC2 N-terminus in complex with S. cerevisiae RFA1 N-ob… · the same entry in another collection · chain A against A, TM-score 1.00
  • P22336 · AlphaFold monomer V2.0 prediction for replication factor a protein 1 (P22336) · a predicted model of the same protein · chain A against A, TM-score 0.97
  • Q6CUV9 · AlphaFold monomer V2.0 prediction for DNA damage checkpoint protein LCD1 (Q6CUV9) · a predicted model of the same protein · chain C against A, TM-score 0.75

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