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MolNFT v1 · #188667 · protein + DNA

Cryoem structure of cenp-N promoted nucleosome stacks with cenp-a and palindromic alpha satellite DNA sequence

7U47 · Histone H3-like centromeric protein a: “Cryoem structure of cenp-N promoted nucleosome stacks with cenp-a and palindromic alpha satellite DNA sequence”. Electron microscopy, 20 pockets (best druggability 0.82). MolNFT v1 #188667 on…

PDB
7U47
Type
protein + DNA
Length
2,430 residues
Chains
22
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone H3-like centromeric protein a; Histone H4; Histone H2A; Histone H2B type…
UniProt
P49450, P62805, Q93077, P62807, Q96H22
Pockets
20 · best druggability 0.82

Structure

electron microscopy · 10 distinct chains · 59% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, LHistone H3-like centromeric protein aprotein8969% helix, 4% strandP49450
B, MHistone H4protein7958% helix, 8% strandP62805
C, NHistone H2Aprotein9954% helix, 6% strandQ93077
D, H, O, SHistone H2B type 1-C/E/F/G/Iprotein9274% helix, 4% strandP62807
E, PHistone H3-like centromeric protein aprotein9168% helix, 4% strandP49450
F, QHistone H4protein7860% helix, 8% strandP62805
G, RHistone H2Aprotein10056% helix, 6% strandQ93077
I, TDNA (147-mer)dna145——
J, UDNA (147-mer)dna145——
K, VCentromere protein Nprotein20547% helix, 20% strandQ96H22

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19780.820.8475empty
25690.780.8552empty
36750.770.8280empty
45920.770.8359empty
54790.760.8455empty

Interfaces

86 interfaces between chains.

  • I–J · 6491 Ų buried · 478 hydrogen bonds · nucleic-nucleic
  • T–U · 6468 Ų buried · 478 hydrogen bonds · nucleic-nucleic
  • N–O · 2576 Ų buried · 14 hydrogen bonds · protein-protein
  • C–D · 2574 Ų buried · 14 hydrogen bonds · protein-protein
  • G–H · 2552 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 7U47 · CryoEM structure of CENP-N promoted nucleosome stacks with CENP-A and palindromic alpha… · the same entry in another collection · chain K against K, TM-score 1.00

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