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MolNFT v1 · #35391 · protein

The crystal structure of human gins core complex

2E9X · DNA replication complex gins protein PSF1: “The crystal structure of human gins core complex”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.85). MolNFT v1 #35391 on GenesisL1: 3D structure, binding sites and…

PDB
2E9X
Type
protein
Length
1,401 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA replication complex gins protein PSF1; DNA replication complex gins protein PSF2…
UniProt
Q14691, Q9Y248, Q9BRX5, Q9BRT9
Ligands
SO4
Pockets
20 · best druggability 0.85

Structure

x-ray diffraction · 5 distinct chains · 55% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, EDNA replication complex gins protein PSF1protein14469% helix, 0% strandQ14691
B, FDNA replication complex gins protein PSF2protein17554% helix, 14% strandQ9Y248
CGins complex subunit 3protein18651% helix, 9% strandQ9BRX5
D, HGins complex subunit 4protein19758% helix, 13% strandQ9BRT9
GGins complex subunit 3protein18348% helix, 9% strandQ9BRX5

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 6 copies · chains A, F, E, H

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

Pockets

20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18600.850.87108empty
29450.840.8595empty
34790.800.8749empty
42050.590.8143empty
51250.580.8419empty

Interfaces

18 interfaces between chains.

  • F–H · 2095 Ų buried · 26 hydrogen bonds · protein-protein
  • B–D · 2057 Ų buried · 22 hydrogen bonds · protein-protein
  • A–C · 1805 Ų buried · 23 hydrogen bonds · protein-protein
  • A–D · 1775 Ų buried · 18 hydrogen bonds · protein-protein
  • E–H · 1765 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 2E9X · The crystal structure of human GINS core complex · the same entry in another collection · chain H against H, TM-score 1.00
  • Q9Y248 · AlphaFold monomer V2.0 prediction for DNA replication complex gins protein PSF2 (Q9Y248) · a predicted model of the same protein · chain B against A, TM-score 0.97
  • Q9BRT9 · AlphaFold monomer V2.0 prediction for DNA replication complex gins protein SLD5 (Q9BRT9) · a predicted model of the same protein · chain D against A, TM-score 0.97
  • Q14691 · AlphaFold monomer V2.0 prediction for DNA replication complex gins protein PSF1 (Q14691) · a predicted model of the same protein · chain A against A, TM-score 0.96
  • Q9BRX5 · AlphaFold monomer V2.0 prediction for DNA replication complex gins protein PSF3 (Q9BRX5) · a predicted model of the same protein · chain G against A, TM-score 0.95

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