MolNFT v1 · #1077 · protein

Structure of adenine-N6-DNA-methyltransferase taqi

1AQJ: “Structure of adenine-N6-DNA-methyltransferase taqi”. X-ray diffraction, 1 ligand (SFG), 5 pockets (best druggability 0.71). MolNFT v1 #1077 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1AQJ
Type: protein
Length: 764 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Adenine-N6-DNA-methyltransferase taqi
EC: 2.1.1.72
UniProt: P14385
Ligands: SFG
Pockets: 5 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 28% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Adenine-N6-DNA-methyltransferase taqi (EC 2.1.1.72)	protein	381	28% helix, 28% strand	P14385
B	Adenine-N6-DNA-methyltransferase taqi (EC 2.1.1.72)	protein	383	28% helix, 28% strand	P14385

Ligands and binding sites

SFG · Sinefungin · ligand · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1086	0.71	0.75	93	empty
2	114	0.40	0.75	27	SFG
3	50	0.32	0.78	12	empty
4	80	0.32	0.73	23	empty
5	56	0.27	0.74	16	SFG

Interfaces

1 interface between chains.

A–B · 490 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

1AQJ · Structure of adenine-N6-DNA-methyltransferase taqi · the same entry in another collection · chain A against A, TM-score 1.00
P14385 · AlphaFold monomer V2.0 prediction for modification methylase taqi (P14385) · 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 P14385
Elsewhere: RCSB PDB 1AQJ · PDBe 1AQJ · UniProt P14385

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