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MolNFT v1 · #135764 · protein + DNA

Structure of eukaryotic cmg helicase at a replication fork

5U8S · DNA replication complex gins protein PSF1: “Structure of eukaryotic cmg helicase at a replication fork”. Electron microscopy, 1 ligand (ATP), 20 pockets (best druggability 0.88). MolNFT v1 #135764 on GenesisL1: 3D structure, binding…

PDB
5U8S
Type
protein + DNA
Length
5,101 residues
Chains
13
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA replication complex gins protein PSF1; DNA replication complex gins protein PSF2; DNA…
EC
3.6.4.12
UniProt
Q12488, P40359, Q12146, Q03406, Q08032, P29469, P24279, P30665, P29496, P53091, P38132
Ligands
ATP
Pockets
20 · best druggability 0.88

Structure

electron microscopy · 13 distinct chains · 38% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA replication complex gins protein PSF1protein20853% helix, 4% strandQ12488
BDNA replication complex gins protein PSF2protein18148% helix, 7% strandP40359
CDNA replication complex gins protein PSF3protein15954% helix, 6% strandQ12146
DDNA replication complex gins protein SLD5protein22149% helix, 4% strandQ03406
ECell division control protein 45protein55346% helix, 7% strandQ08032
FDNA (26-mer)dna26——
GDNA (5'-D(P*AP*TP*CP*GP*AP*TP*CP*GP*AP*TP*CP*GP*AP*T)-3')dna14——
2DNA replication licensing factor MCM2 (EC 3.6.4.12)protein60238% helix, 13% strandP29469
3DNA replication licensing factor MCM3 (EC 3.6.4.12)protein59135% helix, 15% strandP24279
4DNA replication licensing factor MCM4 (EC 3.6.4.12)protein68235% helix, 12% strandP30665
5Minichromosome maintenance protein 5 (EC 3.6.4.12)protein59738% helix, 19% strandP29496
6DNA replication licensing factor MCM6 (EC 3.6.4.12)protein60433% helix, 12% strandP53091
7DNA replication licensing factor MCM7 (EC 3.6.4.12)protein66329% helix, 14% strandP38132

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 3 copies · chains 2, 6, 3, 5

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
18630.880.91134ATP
27760.880.91117empty
37450.880.91104empty
411700.870.88112empty
59740.870.88101ATP

Interfaces

35 interfaces between chains.

  • 3–5 · 3825 Ų buried · 40 hydrogen bonds · protein-protein
  • 4–6 · 3810 Ų buried · 39 hydrogen bonds · protein-protein
  • 2–6 · 3666 Ų buried · 33 hydrogen bonds · protein-protein
  • 4–7 · 3406 Ų buried · 35 hydrogen bonds · protein-protein
  • 2–5 · 3249 Ų buried · 53 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

  • 5U8S · Structure of eukaryotic CMG helicase at a replication fork · the same entry in another collection · chain 7 against 7, TM-score 1.00

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