MolNFT v1 · #101484 · protein

Crystal structure of pcaf

4NSQ · Histone acetyltransferase KAT2B: “Crystal structure of pcaf”. X-ray diffraction, 1 ligand (COA), 6 pockets (best druggability 0.83). MolNFT v1 #101484 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4NSQ
Type: protein
Length: 628 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Histone acetyltransferase KAT2B
EC: 2.3.1.48
UniProt: Q92831
Ligands: COA
Pockets: 6 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Histone acetyltransferase KAT2B (EC 2.3.1.48)	protein	157	34% helix, 31% strand	Q92831

Ligands and binding sites

COA · Coenzyme A · ligand · 4 copies · chains A, B, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 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	1119	0.83	0.84	116	COA
2	297	0.64	0.80	34	COA
3	262	0.62	0.80	35	COA
4	193	0.59	0.81	31	empty
5	108	0.52	0.82	19	empty

Interfaces

4 interfaces between chains.

B–C · 697 Å² buried · 7 hydrogen bonds · protein-protein
A–D · 656 Å² buried · 6 hydrogen bonds · protein-protein
B–D · 381 Å² buried · 0 hydrogen bonds · protein-protein
A–B · 356 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

4NSQ · Crystal structure of PCAF · the same entry in another collection · chain A against A, TM-score 1.00
Q92831 · AlphaFold monomer V2.0 prediction for histone acetyltransferase KAT2B (Q92831) · 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 Q92831
Elsewhere: RCSB PDB 4NSQ · PDBe 4NSQ · UniProt Q92831

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.