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The crystal structure of fancm bound mhf complex

Analyse The crystal structure of fancm bound mhf complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4DRB
Type
protein
Length
1,347 residues
Chains
15
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Centromere protein S; Fanconi anemia group M protein; Centromere protein X
UniProt
Q8N2Z9, Q8IYD8, A8MT69
Pockets
18 · best druggability 0.74

Structure

x-ray diffraction · 9 distinct chains · 64% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACentromere protein Sprotein9879% helix, 4% strandQ8N2Z9
BCentromere protein Sprotein10382% helix, 3% strandQ8N2Z9
CFanconi anemia group M proteinprotein10636% helix, 6% strandQ8IYD8
D, ECentromere protein Sprotein9778% helix, 4% strandQ8N2Z9
FFanconi anemia group M proteinprotein10036% helix, 6% strandQ8IYD8
GCentromere protein Sprotein10582% helix, 4% strandQ8N2Z9
HCentromere protein Sprotein9479% helix, 4% strandQ8N2Z9
IFanconi anemia group M proteinprotein10339% helix, 6% strandQ8IYD8
J, K, L, M, N, OCentromere protein Xprotein7468% helix, 5% strandA8MT69

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16820.740.8082empty
22650.700.8540empty
32120.640.8438empty
4920.560.8617empty
52120.540.7832empty

Interfaces

36 interfaces between chains.

  • A–J · 2308 Ų buried · 16 hydrogen bonds · protein-protein
  • B–K · 2260 Ų buried · 18 hydrogen bonds · protein-protein
  • H–O · 2242 Ų buried · 17 hydrogen bonds · protein-protein
  • D–L · 2236 Ų buried · 15 hydrogen bonds · protein-protein
  • G–N · 2178 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 18 modified (engineered).

Compared structures

  • 4DRB · The crystal structure of FANCM bound MHF complex · the same entry in another collection · chain K against K, TM-score 1.00

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