MolNFT v1 · #101801 · protein

Protein-L-isoaspartate O-methyltransferase from pyrobaculum aerophilum in complex with S-adenosyl-L-homocysteine

4O29: “Protein-L-isoaspartate O-methyltransferase from pyrobaculum aerophilum in complex with…”. X-ray diffraction, 1 ligand (SAH), 1 pocket (best druggability 0.69). MolNFT v1 #101801 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 4O29
Type: protein
Length: 207 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein-L-isoaspartate O-methyltransferase
EC: 2.1.1.77
UniProt: Q8ZYN0
Ligands: SAH
Pockets: 1 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein-L-isoaspartate O-methyltransferase (EC 2.1.1.77)	protein	207	32% helix, 31% strand	Q8ZYN0

Ligands and binding sites

SAH · S-adenosyl-L-homocysteine · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	151	0.69	0.89	31	SAH

Compared structures

4O29 · PROTEIN-L-ISOASPARTATE O-METHYLTRANSFERASE from Pyrobaculum aerophilum in COMPLEX WITH… · the same entry in another collection · chain A against A, TM-score 1.00
Q8ZYN0 · AlphaFold monomer V2.0 prediction for protein-L-isoaspartate O-methyltransferase (Q8ZYN0) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 Q8ZYN0
Elsewhere: RCSB PDB 4O29 · PDBe 4O29 · UniProt Q8ZYN0

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