Research workbench

Rat apo-comt sulfate bound

Analyse Rat apo-comt sulfate bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4P7J
Type: protein
Length: 217 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Catechol O-methyltransferase
EC: 2.1.1.6
UniProt: P22734
Ligands: K, SO4
Pockets: 1 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Catechol O-methyltransferase (EC 2.1.1.6)	protein	217	46% helix, 22% strand	P22734

Ligands and binding sites

K · Potassium ion · metal · chains A
SO4 · Sulfate ion · ion · 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	253	0.63	0.81	26	SO4

Compared structures

4P7J · Rat apo-COMT sulfate bound · the same entry in another collection · chain A against A, TM-score 1.00
P22734 · AlphaFold monomer V2.0 prediction for catechol O-methyltransferase (P22734) · a predicted model of the same protein · chain A against A, TM-score 0.93

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 P22734
Elsewhere: RCSB PDB 4P7J · PDBe 4P7J · UniProt P22734

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