Research workbench

NUC147 bound to multiple brcts

Analyse NUC147 bound to multiple brcts in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7SCZ
Type: protein + DNA
Length: 1,144 residues
Chains: 11
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DNA (147-mer); Histone H3.1; Histone H4; Histone H2A; Histone H2B type 1-J; Poly…
EC: 2.4.2.30, 2.4.2.-
UniProt: P68431, P62805, Q08AJ9, P06899, P09874
Pockets: 20 · best druggability 0.82

Structure

electron microscopy · 11 distinct chains · 61% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
I	DNA (147-mer)	dna	147	—	—
J	DNA (147-mer)	dna	147	—	—
A	Histone H3.1	protein	96	69% helix, 4% strand	P68431
B	Histone H4	protein	77	65% helix, 8% strand	P62805
C	Histone H2A	protein	108	56% helix, 6% strand	Q08AJ9
D	Histone H2B type 1-J	protein	92	75% helix, 4% strand	P06899
E	Histone H3.1	protein	99	64% helix, 4% strand	P68431
F	Histone H4	protein	87	57% helix, 8% strand	P62805
G	Histone H2A	protein	104	59% helix, 6% strand	Q08AJ9
H	Histone H2B type 1-J	protein	91	75% helix, 4% strand	P06899
K	Poly [ADP-ribose] polymerase 1 (EC 2.4.2.30, 2.4.2.-)	protein	96	35% helix, 16% strand	P09874

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	1054	0.82	0.84	111	empty
2	395	0.76	0.86	47	empty
3	934	0.76	0.79	81	empty
4	388	0.74	0.85	45	empty
5	159	0.71	0.90	33	empty

Interfaces

39 interfaces between chains.

I–J · 6519 Å² buried · 683 hydrogen bonds · nucleic-nucleic
E–F · 2749 Å² buried · 32 hydrogen bonds · protein-protein
G–H · 2594 Å² buried · 26 hydrogen bonds · protein-protein
C–D · 2574 Å² buried · 26 hydrogen bonds · protein-protein
A–B · 2534 Å² buried · 26 hydrogen bonds · protein-protein

Compared structures

7SCZ · Nuc147 bound to multiple BRCTs · the same entry in another collection · chain K against K, TM-score 1.00
P68431 · AlphaFold monomer V2.0 prediction for histone H3.1 (P68431) · 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 P68431
Every structure of UniProt P62805
Every structure of UniProt Q08AJ9
Every structure of UniProt P06899
Every structure of UniProt P09874
Elsewhere: RCSB PDB 7SCZ · PDBe 7SCZ · UniProt P68431 · UniProt P62805 · UniProt Q08AJ9 · UniProt P06899 · UniProt P09874

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