GL1X · GenesisL1 explorer

MolNFT v1 · #162943 · protein + DNA

Pfv intasome - nucleosome strand transfer complex

6RNY · Histone H3.3: “Pfv intasome - nucleosome strand transfer complex”. Electron microscopy, 1 ligand (MG), 20 pockets (best druggability 0.80). MolNFT v1 #162943 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6RNY
Type
protein + DNA
Length
2,100 residues
Chains
18
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone H3.3; Histone H4; Histone H2A type 1; Histone H2B type 1-C/E/F/G/I; Integrase…
EC
2.7.7.49, 2.7.7.7, 3.1.26.4, 3.4.23.-, 2.7.7.-, 3.1.-.-
UniProt
P84243, P62805, P0C0S8, P62807, P14350
Ligands
MG
Pockets
20 · best druggability 0.80

Structure

electron microscopy · 12 distinct chains · 38% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, EHistone H3.3protein9764% helix, 3% strandP84243
B, FHistone H4protein8349% helix, 5% strandP62805
C, GHistone H2A type 1protein11038% helix, 5% strandP0C0S8
D, HHistone H2B type 1-C/E/F/G/Iprotein9465% helix, 4% strandP62807
K, OIntegrase (EC 2.7.7.49, 2.7.7.7, 3.1.26.4, 3.4.23.-, 2.7.7.-, 3.1.-.-)protein33824% helix, 17% strandP14350
LIntegrase (EC 2.7.7.49, 2.7.7.7, 3.1.26.4, 3.4.23.-, 2.7.7.-, 3.1.-.-)protein14137% helix, 12% strandP14350
PIntegrase (EC 2.7.7.49, 2.7.7.7, 3.1.26.4, 3.4.23.-, 2.7.7.-, 3.1.-.-)protein15734% helix, 15% strandP14350
IDNA (128-mer)dna128——
UDNA (108-mer)dna108——
TDNA (33-mer)dna33——
JDNA (53-mer)dna53——
Q, MDNA (5'- D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*C)-3')dna18——

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains K, U, J, O, I, T

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17410.800.8478empty
210390.800.81138empty
38880.750.7964empty
42560.730.8834empty
5790.720.9624empty

Interfaces

66 interfaces between chains.

  • I–U · 4704 Ų buried · 468 hydrogen bonds · nucleic-nucleic
  • A–B · 2792 Ų buried · 22 hydrogen bonds · protein-protein
  • E–F · 2766 Ų buried · 18 hydrogen bonds · protein-protein
  • K–O · 2641 Ų buried · 30 hydrogen bonds · protein-protein
  • C–D · 2622 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 6RNY · PFV intasome - nucleosome strand transfer complex · the same entry in another collection · chain M against M, TM-score 1.00

Analyse

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