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Crystal structure of the mutant W207F of human secretory glutaminyl cyclase

Analyse Crystal structure of the mutant W207F of human secretory glutaminyl cyclase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3PBE
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: 5 · best druggability 0.67

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

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	596	0.67	0.77	82	empty
2	53	0.39	0.81	16	empty
3	51	0.38	0.81	17	SO4
4	60	0.31	0.76	18	empty
5	51	0.24	0.73	16	empty

Interfaces

1 interface between chains.

A–B · 556 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

3PBE · Crystal structure of the mutant W207F of human secretory glutaminyl cyclase · 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

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 Q16769
Elsewhere: RCSB PDB 3PBE · PDBe 3PBE · UniProt Q16769

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