MolNFT v1 · #143417 · protein

Crystal structure of ASF1-Fab 12E complex

6AYZ · Fab heavy chain: “Crystal structure of ASF1-Fab 12E complex”. X-ray diffraction, 16 pockets (best druggability 0.59). MolNFT v1 #143417 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6AYZ
Type: protein
Length: 1,166 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fab heavy chain; Fab light chain; Histone chaperone ASF1
UniProt: P32447
Pockets: 16 · best druggability 0.59

Structure

x-ray diffraction · 6 distinct chains · 8% helix, 52% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Fab heavy chain	protein	220	7% helix, 52% strand	—
C	Fab light chain	protein	213	7% helix, 52% strand	—
D	Fab light chain	protein	211	8% helix, 51% strand	—
M	Histone chaperone ASF1	protein	152	11% helix, 56% strand	P32447
R	Fab heavy chain	protein	221	5% helix, 52% strand	—
A	Histone chaperone ASF1	protein	149	10% helix, 54% strand	P32447

Pockets

16 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	421	0.59	0.75	48	empty
2	178	0.56	0.80	31	empty
3	63	0.55	0.89	21	empty
4	344	0.55	0.74	47	empty
5	218	0.54	0.78	23	empty

Interfaces

9 interfaces between chains.

C–R · 2000 Å² buried · 12 hydrogen bonds · protein-protein
B–D · 1952 Å² buried · 12 hydrogen bonds · protein-protein
M–R · 851 Å² buried · 7 hydrogen bonds · protein-protein
B–A · 751 Å² buried · 5 hydrogen bonds · protein-protein
D–A · 634 Å² buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 disulfide (disulfide).

Compared structures

6AYZ · Crystal structure of Asf1-Fab 12E complex · the same entry in another collection · chain A against A, TM-score 1.00
P32447 · AlphaFold monomer V2.0 prediction for histone chaperone ASF1 (P32447) · a predicted model of the same protein · chain M against A, TM-score 0.95

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 P32447
Elsewhere: RCSB PDB 6AYZ · PDBe 6AYZ · UniProt P32447

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