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Crystal structure of the HMHF1/HMHF2 histone-fold tetramer in complex with fanconi anemia associated helicase hfancm

Analyse Crystal structure of the HMHF1/HMHF2 histone-fold tetramer in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4E45
Type
protein
Length
1,334 residues
Chains
15
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Centromere protein S; Centromere protein X; Fanconi anemia group M protein
EC
3.6.4.13
UniProt
Q8N2Z9, A8MT69, Q8IYD8
Ligands
ZN
Pockets
18 · best druggability 0.70

Structure

x-ray diffraction · 7 distinct chains · 65% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, FCentromere protein Sprotein10281% helix, 4% strandQ8N2Z9
B, D, G, I, L, NCentromere protein Xprotein7472% helix, 5% strandA8MT69
C, HCentromere protein Sprotein9479% helix, 4% strandQ8N2Z9
E, JFanconi anemia group M protein (EC 3.6.4.13)protein10540% helix, 6% strandQ8IYD8
KCentromere protein Sprotein9478% helix, 3% strandQ8N2Z9
MCentromere protein Sprotein9376% helix, 4% strandQ8N2Z9
OFanconi anemia group M protein (EC 3.6.4.13)protein10137% helix, 6% strandQ8IYD8

Ligands and binding sites

  • ZN · Zinc ion · metal · 3 copies · chains D, E, I, J, N, O
  • GOL · Glycerol · additive · 2 copies · chains A, B, H, J

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

Pockets

18 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12190.700.8743empty
22100.690.8737empty
33520.690.8249empty
44000.640.7844empty
52670.600.7934empty

Interfaces

37 interfaces between chains.

  • C–D · 2352 Ų buried · 15 hydrogen bonds · protein-protein
  • F–G · 2348 Ų buried · 14 hydrogen bonds · protein-protein
  • H–I · 2317 Ų buried · 19 hydrogen bonds · protein-protein
  • A–B · 2310 Ų buried · 15 hydrogen bonds · protein-protein
  • M–N · 2272 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 4E45 · Crystal structure of the hMHF1/hMHF2 Histone-Fold Tetramer in Complex with Fanconi Anemia… · the same entry in another collection · chain K against K, TM-score 1.00

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