MolNFT v1 · #70926 · protein + DNA

Crystal structure of nucleosome core particle composed of the widom 601 DNA sequence (orientation 2)

3LZ1 · Histone H3.2: “Crystal structure of nucleosome core particle composed of the widom 601 DNA sequence (orientation 2)”. X-ray diffraction, 2 ligands (MN, CL), 20 pockets (best druggability 0.78). MolNFT v1 #70926 on GenesisL1: 3D…

PDB: 3LZ1
Type: protein + DNA
Length: 1,041 residues
Chains: 10
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Histone H3.2; Histone H4; Histone H2A; Histone H2B 1.1; DNA (145-mer)
UniProt: P84233, P62799, Q6AZJ8, P02281
Ligands: MN, CL
Pockets: 20 · best druggability 0.78

Structure

x-ray diffraction · 10 distinct chains · 64% helix, 6% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Histone H3.2	protein	97	64% helix, 4% strand	P84233
B	Histone H4	protein	83	60% helix, 8% strand	P62799
C	Histone H2A	protein	103	56% helix, 6% strand	Q6AZJ8
D	Histone H2B 1.1	protein	95	74% helix, 4% strand	P02281
E	Histone H3.2	protein	97	66% helix, 4% strand	P84233
F	Histone H4	protein	78	63% helix, 8% strand	P62799
G	Histone H2A	protein	105	57% helix, 7% strand	Q6AZJ8
H	Histone H2B 1.1	protein	93	75% helix, 4% strand	P02281
I	DNA (145-mer)	dna	145	—	—
J	DNA (145-mer)	dna	145	—	—

Ligands and binding sites

MN · Manganese (II) ion · metal · 6 copies · chains A, B, I, J
CL · Chloride ion · ion · 2 copies · chains C, D, J, 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, 19 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	716	0.78	0.82	81	empty
2	496	0.78	0.85	57	empty
3	398	0.76	0.86	47	empty
4	676	0.74	0.80	58	empty
5	767	0.69	0.77	58	empty

Interfaces

36 interfaces between chains.

I–J · 6555 Å² buried · 687 hydrogen bonds · nucleic-nucleic
C–D · 2680 Å² buried · 32 hydrogen bonds · protein-protein
A–B · 2651 Å² buried · 24 hydrogen bonds · protein-protein
G–H · 2606 Å² buried · 26 hydrogen bonds · protein-protein
E–F · 2553 Å² buried · 24 hydrogen bonds · protein-protein

Compared structures

3LZ1 · Crystal Structure of Nucleosome Core Particle Composed of the Widom 601 DNA Sequence… · the same entry in another collection · chain J against J, TM-score 1.00
P84233 · AlphaFold monomer V2.0 prediction for histone H3.2 (P84233) · 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 P84233
Every structure of UniProt P62799
Every structure of UniProt Q6AZJ8
Every structure of UniProt P02281
Elsewhere: RCSB PDB 3LZ1 · PDBe 3LZ1 · UniProt P84233 · UniProt P62799 · UniProt Q6AZJ8 · UniProt P02281

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