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Crystal structure of MtISWI bound with histone H4 tail

Analyse Crystal structure of MtISWI bound with histone H4 tail in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5JXT
Type
protein
Length
5,087 residues
Chains
23
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.009
Source
Myceliophthora thermophila (strain ATCC 42464 / BCRC 31852 / DSM 1799)…
Molecule
Chromatin-remodeling complex ATPase-like protein; Histone H4
UniProt
G2QFM3, A0A0E9NAT8
Pockets
20 · best druggability 0.83

Structure

x-ray diffraction · resolution 3.009 · 18 distinct chains · 52% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BChromatin-remodeling complex ATPase-like proteinprotein32848% helix, 11% strandG2QFM3
EChromatin-remodeling complex ATPase-like proteinprotein31356% helix, 11% strandG2QFM3
FChromatin-remodeling complex ATPase-like proteinprotein32450% helix, 10% strandG2QFM3
GChromatin-remodeling complex ATPase-like proteinprotein30855% helix, 11% strandG2QFM3
JChromatin-remodeling complex ATPase-like proteinprotein31751% helix, 10% strandG2QFM3
NChromatin-remodeling complex ATPase-like proteinprotein31951% helix, 10% strandG2QFM3
OChromatin-remodeling complex ATPase-like proteinprotein32252% helix, 10% strandG2QFM3
PChromatin-remodeling complex ATPase-like proteinprotein31651% helix, 10% strandG2QFM3
R, S, U, Q, T, VHistone H4protein50% helix, 0% strandA0A0E9NAT8
CChromatin-remodeling complex ATPase-like proteinprotein32450% helix, 11% strandG2QFM3
HChromatin-remodeling complex ATPase-like proteinprotein32150% helix, 10% strandG2QFM3
KChromatin-remodeling complex ATPase-like proteinprotein30653% helix, 11% strandG2QFM3
LChromatin-remodeling complex ATPase-like proteinprotein31154% helix, 10% strandG2QFM3
AChromatin-remodeling complex ATPase-like proteinprotein32751% helix, 10% strandG2QFM3
IChromatin-remodeling complex ATPase-like proteinprotein30151% helix, 11% strandG2QFM3
DChromatin-remodeling complex ATPase-like proteinprotein29254% helix, 11% strandG2QFM3
MChromatin-remodeling complex ATPase-like proteinprotein32451% helix, 10% strandG2QFM3
WHistone H4protein40% helix, 0% strandA0A0E9NAT8

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15940.830.8854empty
25890.810.8761empty
38510.770.81102empty
411450.770.79102empty
55420.760.8467empty

Interfaces

41 interfaces between chains.

  • E–H · 5227 Ų buried · 54 hydrogen bonds · protein-protein
  • G–M · 5183 Ų buried · 50 hydrogen bonds · protein-protein
  • B–K · 5044 Ų buried · 49 hydrogen bonds · protein-protein
  • J–C · 5021 Ų buried · 48 hydrogen bonds · protein-protein
  • O–A · 5017 Ų buried · 41 hydrogen bonds · protein-protein

Compared structures

  • 5JXT · Crystal structure of mtiswi bound with histone H4 tail · the same entry in another collection · chain A against A, TM-score 1.00

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