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Crystal structure of the human glutaminyl cyclase mutant S160A at 1.7 ångström resolution

Analyse Crystal structure of the human glutaminyl cyclase mutant S160A at 1.7 ångström… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2ZED
Type: protein
Length: 646 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glutaminyl-peptide cyclotransferase
EC: 2.3.2.5
UniProt: Q16769
Ligands: ZN, SO4
Pockets: 3 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Glutaminyl-peptide cyclotransferase (EC 2.3.2.5)	protein	323	37% helix, 16% strand	Q16769

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A, B
SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

3 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	797	0.70	0.76	113	empty
2	89	0.49	0.82	19	SO4
3	56	0.41	0.81	17	SO4

Interfaces

1 interface between chains.

A–B · 528 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

2ZED · Crystal structure of the human glutaminyl cyclase mutant S160A at 1.7 angstrom resolution · the same entry in another collection · chain A against A, TM-score 1.00
Q16769 · AlphaFold monomer V2.0 prediction for glutaminyl-peptide cyclotransferase (Q16769) · a predicted model of the same protein · chain A against A, TM-score 1.00

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Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q16769
Elsewhere: RCSB PDB 2ZED · PDBe 2ZED · UniProt Q16769

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