MolNFT v1 · #104486 · protein

Crystal structure of DNMT3A add domain E545R mutant bound to H3T3PH peptide

4QBS · DNA (cytosine-5)-methyltransferase 3A: “Crystal structure of DNMT3A add domain E545R mutant bound to H3T3PH peptide”. X-ray diffraction, 2 ligands (ZN, SO4). MolNFT v1 #104486 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4QBS
Type: protein
Length: 145 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DNA (cytosine-5)-methyltransferase 3A; Histone H3
EC: 2.1.1.37
UniProt: Q9Y6K1
Ligands: ZN, SO4

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	DNA (cytosine-5)-methyltransferase 3A (EC 2.1.1.37)	protein	138	32% helix, 17% strand	Q9Y6K1
P	Histone H3	protein	7	0% helix, 43% strand	—

Ligands and binding sites

ZN · Zinc ion · metal · 3 copies · chains A
SO4 · Sulfate ion · ion · chains A

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

Interfaces

1 interface between chains.

A–P · 548 Å² buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

4QBS · Crystal structure of DNMT3a ADD domain E545R mutant bound to H3T3ph peptide · the same entry in another collection · chain A against A, TM-score 1.00
Q9Y6K1 · AlphaFold monomer V2.0 prediction for DNA (cytosine-5)-methyltransferase 3A (Q9Y6K1) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q9Y6K1
Elsewhere: RCSB PDB 4QBS · PDBe 4QBS · UniProt Q9Y6K1

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