Cobalt in PDB 9fxj: Crystal Structure of Cobalt(II)-Substituted Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with Pbd-150

Enzymatic activity of Crystal Structure of Cobalt(II)-Substituted Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with Pbd-150

All present enzymatic activity of Crystal Structure of Cobalt(II)-Substituted Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with Pbd-150:
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 Pbd-150, PDB code: 9fxj 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) 74.81 / 3.06
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 86.393, 149.627, 96.158, 90, 96.82, 90
R / Rfree (%) 17.1 / 20.2

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 Pbd-150 (pdb code 9fxj). 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 Pbd-150, PDB code: 9fxj:
Jump to Cobalt binding site number: 1; 2; 3;

Cobalt binding site 1 out of 3 in 9fxj

Go back to Cobalt Binding Sites List in 9fxj
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 Pbd-150


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 Pbd-150 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co401

b:23.4
occ:1.00
OE2 A:GLU202 1.8 24.2 1.0
NAM A:PBD402 1.9 24.5 1.0
NE2 A:HIS330 2.2 22.8 1.0
OD1 A:ASP159 2.5 26.5 1.0
OD2 A:ASP159 2.5 22.9 1.0
CD A:GLU202 2.7 24.7 1.0
CAH A:PBD402 2.8 24.7 1.0
CG A:ASP159 2.8 24.9 1.0
CD2 A:HIS330 2.9 22.8 1.0
CAD A:PBD402 3.0 24.6 1.0
OE1 A:GLU202 3.1 22.7 1.0
CE1 A:HIS330 3.3 22.6 1.0
NE1 A:TRP329 3.9 28.1 1.0
NAV A:PBD402 4.0 25.7 1.0
CAG A:PBD402 4.1 24.8 1.0
CG A:GLU202 4.1 25.2 1.0
CG A:HIS330 4.2 23.1 1.0
CB A:ASP159 4.3 25.3 1.0
ND1 A:HIS330 4.3 22.5 1.0
OE1 A:GLU201 4.4 26.0 1.0
NE2 A:HIS140 4.6 31.4 1.0
CD1 A:TRP329 4.6 28.3 1.0
CE2 A:TRP329 4.6 27.6 1.0
CD2 A:LEU249 4.7 18.8 1.0
O A:ASP159 4.7 25.8 1.0
CE1 A:HIS140 4.7 32.5 1.0
CZ2 A:TRP329 4.9 27.1 1.0

Cobalt binding site 2 out of 3 in 9fxj

Go back to Cobalt Binding Sites List in 9fxj
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 Pbd-150


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 Pbd-150 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co401

b:20.8
occ:1.00
OE2 B:GLU202 1.8 18.1 1.0
NE2 B:HIS330 1.9 19.9 1.0
NAM B:PBD402 2.0 21.8 1.0
OD2 B:ASP159 2.4 29.6 1.0
CD B:GLU202 2.7 18.7 1.0
CE1 B:HIS330 2.8 20.7 1.0
CAH B:PBD402 2.9 22.5 1.0
OD1 B:ASP159 2.9 29.0 1.0
CG B:ASP159 2.9 28.7 1.0
OE1 B:GLU202 3.0 17.5 1.0
CD2 B:HIS330 3.0 20.2 1.0
CAD B:PBD402 3.0 21.7 1.0
ND1 B:HIS330 4.0 20.7 1.0
NAV B:PBD402 4.0 23.1 1.0
CG B:GLU202 4.1 19.5 1.0
CG B:HIS330 4.1 20.9 1.0
CAG B:PBD402 4.1 22.5 1.0
NE1 B:TRP329 4.1 21.6 1.0
CB B:ASP159 4.4 28.1 1.0
OE1 B:GLU201 4.4 25.9 1.0
NE2 B:HIS140 4.7 24.5 1.0
CE1 B:HIS140 4.8 25.0 1.0
CB B:LYS144 4.8 28.0 1.0
CD B:LYS144 4.8 27.6 1.0
CD2 B:LEU249 4.8 12.4 1.0
CD1 B:TRP329 4.8 22.5 1.0
CE2 B:TRP329 4.8 21.2 1.0
O B:ASP159 4.9 25.2 1.0
OE2 B:GLU201 5.0 27.8 1.0

Cobalt binding site 3 out of 3 in 9fxj

Go back to Cobalt Binding Sites List in 9fxj
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 Pbd-150


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 Pbd-150 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Co401

b:21.9
occ:1.00
NE2 C:HIS330 1.9 29.5 1.0
OE2 C:GLU202 1.9 21.9 1.0
NAM C:PBD402 2.1 25.7 1.0
OD2 C:ASP159 2.1 25.3 1.0
CD C:GLU202 2.6 21.9 1.0
OE1 C:GLU202 2.6 21.2 1.0
CE1 C:HIS330 2.8 30.1 1.0
CG C:ASP159 2.9 26.0 1.0
OD1 C:ASP159 3.0 25.0 1.0
CD2 C:HIS330 3.0 28.0 1.0
CAD C:PBD402 3.0 25.3 1.0
CAH C:PBD402 3.1 25.4 1.0
ND1 C:HIS330 3.9 28.5 1.0
CG C:HIS330 4.0 26.5 1.0
CG C:GLU202 4.1 22.0 1.0
CAG C:PBD402 4.2 24.7 1.0
OE1 C:GLU201 4.2 24.8 1.0
NAV C:PBD402 4.2 25.2 1.0
NE1 C:TRP329 4.3 21.1 1.0
CB C:ASP159 4.3 26.6 1.0
O C:ASP159 4.8 32.6 1.0
NE2 C:HIS140 4.8 24.4 1.0
CE2 C:TRP329 4.8 20.9 1.0
CE1 C:HIS140 4.9 24.9 1.0
CD2 C:LEU249 4.9 16.0 1.0
CZ2 C:TRP329 4.9 21.3 1.0
CD C:LYS144 5.0 27.9 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: Sat Sep 28 19:49:31 2024

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