MolNFT v1 · #175797 · protein + DNA

Cryo-EM structure of SET8-cenp-a-nucleosome complex

7D20 · Histone H3-like centromeric protein a: “Cryo-EM structure of SET8-cenp-a-nucleosome complex”. Electron microscopy, 20 pockets (best druggability 0.82). MolNFT v1 #175797 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7D20
Type: protein + DNA
Length: 1,186 residues
Chains: 11
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Histone H3-like centromeric protein a; Histone H4; Histone H2A type 1-B/E; Histone H2B…
EC: 2.1.1.-, 2.1.1.361
UniProt: P49450, P62805, P04908, P06899, Q9NQR1
Pockets: 20 · best druggability 0.82

Structure

electron microscopy · 11 distinct chains · 54% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Histone H3-like centromeric protein a	protein	89	60% helix, 2% strand	P49450
E	Histone H3-like centromeric protein a	protein	91	60% helix, 4% strand	P49450
B	Histone H4	protein	80	65% helix, 8% strand	P62805
C	Histone H2A type 1-B/E	protein	107	53% helix, 6% strand	P04908
D	Histone H2B type 1-J	protein	93	75% helix, 4% strand	P06899
F	Histone H4	protein	87	55% helix, 5% strand	P62805
G	Histone H2A type 1-B/E	protein	109	50% helix, 6% strand	P04908
I	DNA (145-mer)	dna	136	—	—
J	DNA (145-mer)	dna	136	—	—
K	Isoform 2 of N-lysine methyltransferase KMT5A (EC 2.1.1.-, 2.1.1.361)	protein	166	20% helix, 30% strand	Q9NQR1
H	Histone H2B type 1-J	protein	92	76% helix, 4% strand	P06899

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	984	0.82	0.84	96	empty
2	353	0.76	0.87	47	empty
3	322	0.75	0.87	41	empty
4	497	0.72	0.82	51	empty
5	243	0.71	0.87	35	empty

Interfaces

44 interfaces between chains.

I–J · 6036 Å² buried · 502 hydrogen bonds · nucleic-nucleic
C–D · 2633 Å² buried · 16 hydrogen bonds · protein-protein
G–H · 2563 Å² buried · 21 hydrogen bonds · protein-protein
E–B · 2475 Å² buried · 20 hydrogen bonds · protein-protein
A–F · 2448 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

7D20 · Cryo-EM structure of SET8-CENP-A-nucleosome complex · the same entry in another collection · chain H against H, TM-score 1.00
P06899 · AlphaFold monomer V2.0 prediction for histone H2B type 1-J (P06899) · a predicted model of the same protein · chain H 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 P49450
Every structure of UniProt P62805
Every structure of UniProt P04908
Every structure of UniProt P06899
Every structure of UniProt Q9NQR1
Elsewhere: RCSB PDB 7D20 · PDBe 7D20 · UniProt P49450 · UniProt P62805 · UniProt P04908 · UniProt P06899 · UniProt Q9NQR1

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