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MolNFT v1 · #129502 · protein

Crystal structure of K. lactis DDC2 N-terminus in complex with S. cerevisiae RFA1 N-ob domain

5OMB · Replication factor a protein 1: “Crystal structure of K. lactis DDC2 N-terminus in complex with S. cerevisiae RFA1 N-ob domain”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.41). MolNFT v1 #129502 on GenesisL1…

PDB
5OMB
Type
protein
Length
448 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
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 · 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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