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Crystal structure of human tonsl and MCM2 hbds binding to a histone H3-H4 tetramer

Analyse Crystal structure of human tonsl and MCM2 hbds binding to a histone H3-H4… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5JA4
Type
protein
Length
373 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone H3.3; Histone H4; DNA replication licensing factor MCM2; Tonsoku-like protein
EC
3.6.4.12
UniProt
P84243, P62805, P49736, Q96HA7
Pockets
1 · best druggability 0.57

Structure

x-ray diffraction · 4 distinct chains · 53% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHistone H3.3protein7865% helix, 5% strandP84243
BHistone H4protein8956% helix, 4% strandP62805
CDNA replication licensing factor MCM2 (EC 3.6.4.12)protein5737% helix, 5% strandP49736
DTonsoku-like proteinprotein14952% helix, 0% strandQ96HA7

Ligands and binding sites

  • GOL · Glycerol · additive · 2 copies · chains B, D, A
  • MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13760.570.7541GOL

Interfaces

5 interfaces between chains.

  • A–B · 2225 Ų buried · 17 hydrogen bonds · protein-protein
  • B–C · 1258 Ų buried · 29 hydrogen bonds · protein-protein
  • B–D · 1004 Ų buried · 20 hydrogen bonds · protein-protein
  • A–C · 939 Ų buried · 16 hydrogen bonds · protein-protein
  • A–D · 84 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5JA4 · Crystal structure of human TONSL and MCM2 HBDs binding to a histone H3-H4 tetramer · the same entry in another collection · chain A against A, TM-score 1.00
  • P84243 · AlphaFold monomer V2.0 prediction for histone H3.3 (P84243) · a predicted model of the same protein · chain A against A, TM-score 0.95
  • Q96HA7 · AlphaFold monomer V2.0 prediction for tonsoku-like protein (Q96HA7) · a predicted model of the same protein · chain D against A, TM-score 0.94
  • P49736 · AlphaFold monomer V2.0 prediction for DNA replication licensing factor MCM2 (P49736) · a predicted model of the same protein · chain C against A, TM-score 0.45

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