MolNFT v1 · #114067 · protein + DNA

The crystal structure of the nucleosome containing H3.2, at 1.98 a resolution

5B0Z · Histone H3.2: “The crystal structure of the nucleosome containing H3.2, at 1.98 a resolution”. X-ray diffraction, 2 ligands (MN, CL), 20 pockets (best druggability 0.83). MolNFT v1 #114067 on GenesisL1: 3D structure, binding sites…

PDB: 5B0Z
Type: protein + DNA
Length: 1,044 residues
Chains: 10
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Histone H3.2; Histone H4; Histone H2A type 1-B/E; Histone H2B type 1-J; DNA (146-mer)
UniProt: Q71DI3, P62805, P04908, P06899
Ligands: MN, CL
Pockets: 20 · best druggability 0.83

Structure

x-ray diffraction · 9 distinct chains · 65% helix, 6% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Histone H3.2	protein	96	67% helix, 4% strand	Q71DI3
B	Histone H4	protein	78	63% helix, 9% strand	P62805
C	Histone H2A type 1-B/E	protein	108	56% helix, 6% strand	P04908
D	Histone H2B type 1-J	protein	94	73% helix, 4% strand	P06899
E	Histone H3.2	protein	98	67% helix, 4% strand	Q71DI3
F	Histone H4	protein	83	60% helix, 8% strand	P62805
G	Histone H2A type 1-B/E	protein	104	58% helix, 7% strand	P04908
H	Histone H2B type 1-J	protein	91	77% helix, 4% strand	P06899
I, J	DNA (146-mer)	dna	146	—	—

Ligands and binding sites

MN · Manganese (II) ion · metal · 3 copies · chains E, F, I, J
CL · Chloride ion · ion · 4 copies · chains A, C, D, J, E, G, H, I

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	948	0.83	0.85	78	empty
2	520	0.77	0.84	51	empty
3	322	0.73	0.86	39	empty
4	1095	0.72	0.76	68	empty
5	787	0.70	0.77	54	empty

Interfaces

36 interfaces between chains.

I–J · 6378 Å² buried · 617 hydrogen bonds · nucleic-nucleic
G–H · 2620 Å² buried · 24 hydrogen bonds · protein-protein
E–F · 2604 Å² buried · 24 hydrogen bonds · protein-protein
C–D · 2602 Å² buried · 21 hydrogen bonds · protein-protein
A–B · 2485 Å² buried · 26 hydrogen bonds · protein-protein

Compared structures

5B0Z · The crystal structure of the nucleosome containing H3.2, at 1.98 A resolution · the same entry in another collection · chain J against J, TM-score 1.00
Q71DI3 · AlphaFold monomer V2.0 prediction for histone H3.2 (Q71DI3) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q71DI3
Every structure of UniProt P62805
Every structure of UniProt P04908
Every structure of UniProt P06899
Elsewhere: RCSB PDB 5B0Z · PDBe 5B0Z · UniProt Q71DI3 · UniProt P62805 · UniProt P04908 · UniProt P06899

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