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Cobalt in PDB 9fxi: Crystal Structure of Cobalt(II)-Substituted Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with SEN177

Enzymatic activity of Crystal Structure of Cobalt(II)-Substituted Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with SEN177

All present enzymatic activity of Crystal Structure of Cobalt(II)-Substituted Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with SEN177:
2.3.2.5;

Protein crystallography data

The structure of Crystal Structure of Cobalt(II)-Substituted Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with SEN177, PDB code: 9fxi was solved by G.Tassone, C.Pozzi, S.Mangani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 74.87 / 3.06
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 86.435, 149.744, 95.652, 90, 97.1, 90
R / Rfree (%) 17.4 / 22.8

Other elements in 9fxi:

The structure of Crystal Structure of Cobalt(II)-Substituted Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with SEN177 also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Cobalt Binding Sites:

The binding sites of Cobalt atom in the Crystal Structure of Cobalt(II)-Substituted Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with SEN177 (pdb code 9fxi). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 3 binding sites of Cobalt where determined in the Crystal Structure of Cobalt(II)-Substituted Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with SEN177, PDB code: 9fxi:
Jump to Cobalt binding site number: 1; 2; 3;

Cobalt binding site 1 out of 3 in 9fxi

Go back to Cobalt Binding Sites List in 9fxi
Cobalt binding site 1 out of 3 in the Crystal Structure of Cobalt(II)-Substituted Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with SEN177


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of Cobalt(II)-Substituted Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with SEN177 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co401

b:24.7
occ:1.00
N5 A:S77402 1.8 35.5 1.0
NE2 A:HIS330 1.9 30.0 1.0
OE2 A:GLU202 2.1 34.6 1.0
OD2 A:ASP159 2.4 25.1 1.0
N4 A:S77402 2.6 36.7 1.0
OD1 A:ASP159 2.8 26.6 1.0
C13 A:S77402 2.9 36.2 1.0
CE1 A:HIS330 2.9 30.2 1.0
CD A:GLU202 3.0 36.2 1.0
CD2 A:HIS330 3.0 30.0 1.0
CG A:ASP159 3.0 26.6 1.0
OE1 A:GLU202 3.1 35.0 1.0
C4 A:S77402 3.8 38.7 1.0
N2 A:S77402 3.9 37.5 1.0
ND1 A:HIS330 4.0 30.1 1.0
CG A:HIS330 4.1 30.7 1.0
NE1 A:TRP329 4.3 24.6 1.0
CG A:GLU202 4.4 36.6 1.0
CB A:ASP159 4.5 27.2 1.0
CD2 A:LEU249 4.6 21.9 1.0
CE1 A:HIS140 4.7 27.7 1.0
CD1 A:TRP329 4.8 24.9 1.0
OE1 A:GLU201 4.8 34.1 1.0
NE2 A:HIS140 4.8 26.6 1.0
O A:ASP159 4.9 30.7 1.0

Cobalt binding site 2 out of 3 in 9fxi

Go back to Cobalt Binding Sites List in 9fxi
Cobalt binding site 2 out of 3 in the Crystal Structure of Cobalt(II)-Substituted Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with SEN177


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of Cobalt(II)-Substituted Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with SEN177 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co402

b:22.8
occ:1.00
N5 B:S77401 1.9 30.0 1.0
NE2 B:HIS330 1.9 25.9 1.0
OD2 B:ASP159 2.0 22.5 1.0
OE2 B:GLU202 2.2 25.3 1.0
N4 B:S77401 2.6 30.1 1.0
CG B:ASP159 2.8 23.4 1.0
CE1 B:HIS330 2.9 26.6 1.0
CD B:GLU202 2.9 24.8 1.0
OE1 B:GLU202 2.9 23.6 1.0
OD1 B:ASP159 2.9 22.8 1.0
CD2 B:HIS330 2.9 26.7 1.0
C13 B:S77401 3.1 30.0 1.0
C4 B:S77401 3.8 30.3 1.0
ND1 B:HIS330 4.0 27.3 1.0
CG B:HIS330 4.1 26.8 1.0
N2 B:S77401 4.1 29.4 1.0
CB B:ASP159 4.2 23.9 1.0
NE1 B:TRP329 4.3 26.0 1.0
CG B:GLU202 4.4 24.9 1.0
OE1 B:GLU201 4.6 24.0 1.0
CD2 B:LEU249 4.8 19.7 1.0
CB B:LYS144 4.8 27.2 1.0
NE2 B:HIS140 4.9 29.5 1.0
CD B:LYS144 4.9 27.8 1.0
CD1 B:TRP329 4.9 26.9 1.0
O B:ASP159 5.0 25.2 1.0

Cobalt binding site 3 out of 3 in 9fxi

Go back to Cobalt Binding Sites List in 9fxi
Cobalt binding site 3 out of 3 in the Crystal Structure of Cobalt(II)-Substituted Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with SEN177


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Crystal Structure of Cobalt(II)-Substituted Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with SEN177 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Co401

b:29.1
occ:1.00
OD2 C:ASP159 1.8 25.6 1.0
NE2 C:HIS330 1.9 25.7 1.0
N5 C:S77402 2.0 32.7 1.0
OE2 C:GLU202 2.2 22.3 1.0
CG C:ASP159 2.7 26.3 1.0
OE1 C:GLU202 2.8 21.5 1.0
CD2 C:HIS330 2.8 25.6 1.0
CD C:GLU202 2.8 22.5 1.0
N4 C:S77402 2.8 32.0 1.0
CE1 C:HIS330 3.0 25.4 1.0
OD1 C:ASP159 3.1 25.8 1.0
C13 C:S77402 3.2 31.8 1.0
CG C:HIS330 4.0 25.7 1.0
NE1 C:TRP329 4.0 23.1 1.0
C4 C:S77402 4.0 31.3 1.0
ND1 C:HIS330 4.1 25.2 1.0
CB C:ASP159 4.1 27.1 1.0
N2 C:S77402 4.2 30.8 1.0
CG C:GLU202 4.3 22.8 1.0
CD1 C:TRP329 4.5 24.3 1.0
CD2 C:LEU249 4.7 19.4 1.0
NE2 C:HIS140 4.9 18.2 1.0
CE2 C:TRP329 4.9 23.5 1.0
CE1 C:HIS140 4.9 18.9 1.0
OE1 C:GLU201 5.0 30.5 1.0

Reference:

G.Tassone, C.Pozzi, S.Mangani. Metal Ion Binding to Human Glutaminyl Cyclase: A Structural Perspective. Int J Mol Sci V. 25 2024.
ISSN: ESSN 1422-0067
PubMed: 39125848
DOI: 10.3390/IJMS25158279
Page generated: Sun Jul 13 22:15:02 2025

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