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MolNFT v1 · #179493 · protein + DNA

Antibody and nucleosome complex

7K78 · CSE4: “Antibody and nucleosome complex”. Electron microscopy, 20 pockets (best druggability 0.73). MolNFT v1 #179493 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7K78
Type
protein + DNA
Length
1,430 residues
Chains
12
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CSE4; Histone H4; Histone H2A.1; Histone H2B.1; DNA (136-mer); Scfv
UniProt
P02309, P04911, P02293
Pockets
20 · best druggability 0.73

Structure

electron microscopy · 11 distinct chains · 49% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACSE4protein9568% helix, 4% strand—
BHistone H4protein7962% helix, 9% strandP02309
CHistone H2A.1protein10155% helix, 7% strandP04911
DHistone H2B.1protein9474% helix, 4% strandP02293
ECSE4protein9866% helix, 4% strand—
FHistone H4protein8061% helix, 9% strandP02309
GHistone H2A.1protein10049% helix, 7% strandP04911
HHistone H2B.1protein9375% helix, 4% strandP02293
IDNA (136-mer)dna116——
JDNA (136-mer)dna116——
K, LScfvprotein2293% helix, 53% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14870.730.8351empty
28510.730.7864empty
34240.720.8348empty
44010.710.8243empty
54710.690.8037empty

Interfaces

40 interfaces between chains.

  • I–J · 4747 Ų buried · 264 hydrogen bonds · nucleic-nucleic
  • E–F · 2686 Ų buried · 18 hydrogen bonds · protein-protein
  • G–H · 2634 Ų buried · 21 hydrogen bonds · protein-protein
  • A–B · 2630 Ų buried · 21 hydrogen bonds · protein-protein
  • C–D · 2615 Ų buried · 22 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 7K78 · antibody and nucleosome complex · the same entry in another collection · chain L against L, TM-score 1.00

Analyse

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