Magnesium in PDB 6zpq: Crystal Structure of the Open Conformation of Angiotensin-1 Converting Enzyme N-Domain.

Enzymatic activity of Crystal Structure of the Open Conformation of Angiotensin-1 Converting Enzyme N-Domain.

All present enzymatic activity of Crystal Structure of the Open Conformation of Angiotensin-1 Converting Enzyme N-Domain.:
3.4.15.1;

Protein crystallography data

The structure of Crystal Structure of the Open Conformation of Angiotensin-1 Converting Enzyme N-Domain., PDB code: 6zpq was solved by G.E.Cozier, K.R.Acharya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 80.50 / 1.85
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 74.683, 99.934, 128.701, 97.76, 90.21, 111.06
R / Rfree (%) 18.4 / 21.4

Other elements in 6zpq:

The structure of Crystal Structure of the Open Conformation of Angiotensin-1 Converting Enzyme N-Domain. also contains other interesting chemical elements:

Zinc (Zn) 4 atoms
Calcium (Ca) 4 atoms
Chlorine (Cl) 4 atoms
Sodium (Na) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Open Conformation of Angiotensin-1 Converting Enzyme N-Domain. (pdb code 6zpq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of the Open Conformation of Angiotensin-1 Converting Enzyme N-Domain., PDB code: 6zpq:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 6zpq

Go back to Magnesium Binding Sites List in 6zpq
Magnesium binding site 1 out of 3 in the Crystal Structure of the Open Conformation of Angiotensin-1 Converting Enzyme N-Domain.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Open Conformation of Angiotensin-1 Converting Enzyme N-Domain. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg721

b:72.7
occ:1.00
OD1 A:ASP354 3.0 60.1 1.0
OE1 A:GLU431 3.3 51.1 1.0
OE2 A:GLU431 3.7 45.9 1.0
O A:HOH1096 3.7 50.8 1.0
CD A:GLU431 3.7 50.8 1.0
CG A:ASP354 4.1 56.3 1.0
OD2 A:ASP354 4.5 63.2 1.0
OE2 A:GLU262 5.0 56.6 1.0
HG3 A:GLU431 5.0 52.5 1.0

Magnesium binding site 2 out of 3 in 6zpq

Go back to Magnesium Binding Sites List in 6zpq
Magnesium binding site 2 out of 3 in the Crystal Structure of the Open Conformation of Angiotensin-1 Converting Enzyme N-Domain.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Open Conformation of Angiotensin-1 Converting Enzyme N-Domain. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg717

b:63.3
occ:1.00
O B:HOH941 2.1 53.0 1.0
O B:HOH866 2.2 56.1 1.0
O B:HOH1098 2.2 51.9 1.0
OD1 B:ASP354 2.5 31.4 0.5
O B:HOH1025 3.1 43.4 1.0
OE2 B:GLU431 3.5 43.5 1.0
CG B:ASP354 3.5 34.5 0.5
O B:HOH1086 3.6 44.4 1.0
OE1 B:GLU431 3.8 46.2 1.0
CD B:GLU431 3.9 45.4 1.0
OD2 B:ASP354 3.9 35.2 0.5
HB3 B:ASP354 4.3 38.2 0.5
HG B:SER357 4.4 39.6 0.6
OD1 B:ASP354 4.5 32.9 0.5
HA B:ASP354 4.7 35.6 0.5
HA B:ASP354 4.7 35.6 0.5
CG B:ASP354 4.8 33.2 0.5
HB2 B:SER357 4.8 37.9 0.4
HB3 B:SER357 4.8 37.9 0.6
CB B:ASP354 4.8 31.9 0.5
O B:HOH1032 4.9 36.3 1.0
CB B:ASP354 4.9 31.9 0.5
HB2 B:ASP354 5.0 38.2 0.5

Magnesium binding site 3 out of 3 in 6zpq

Go back to Magnesium Binding Sites List in 6zpq
Magnesium binding site 3 out of 3 in the Crystal Structure of the Open Conformation of Angiotensin-1 Converting Enzyme N-Domain.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the Open Conformation of Angiotensin-1 Converting Enzyme N-Domain. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg714

b:44.5
occ:0.70
O C:HOH904 2.0 45.4 1.0
OD1 C:ASP354 2.0 33.0 0.5
O C:HOH1049 2.1 47.2 1.0
O C:HOH850 2.2 47.8 1.0
CG C:ASP354 3.2 33.5 0.5
OD2 C:ASP354 3.7 33.2 0.5
O C:HOH802 3.8 48.3 1.0
HB3 C:ASP354 3.9 37.2 0.5
HG C:SER357 3.9 46.1 1.0
O C:HOH1117 4.0 42.9 1.0
HB3 C:SER357 4.1 38.1 1.0
HA C:ASP354 4.1 35.9 0.5
HA C:ASP354 4.2 35.9 0.5
CB C:ASP354 4.4 31.0 0.5
OE2 C:GLU431 4.4 47.7 1.0
CG C:ASP354 4.4 33.9 0.5
OE1 C:GLU431 4.4 46.0 1.0
O C:HOH1014 4.4 39.5 1.0
OG C:SER357 4.4 38.4 1.0
CB C:ASP354 4.5 31.0 0.5
OD1 C:ASP354 4.5 37.5 0.5
HB2 C:ASP354 4.5 37.2 0.5
O C:ASP354 4.6 28.3 0.5
HG1 C:THR358 4.6 37.0 1.0
O C:ASP354 4.6 28.4 0.5
CD C:GLU431 4.7 52.8 1.0
CA C:ASP354 4.7 29.9 0.5
CA C:ASP354 4.7 29.9 0.5
CB C:SER357 4.7 31.7 1.0
OD2 C:ASP354 4.8 40.9 0.5
O C:HOH1106 4.8 45.0 1.0

Reference:

G.E.Cozier, L.Lubbe, E.D.Sturrock, K.R.Acharya. Angiotensin-Converting Enzyme Open For Business: Structural Insights Into the Sub-Domain Dynamics. Febs J. 2020.
ISSN: ISSN 1742-464X
PubMed: 33067882
DOI: 10.1111/FEBS.15601
Page generated: Tue Dec 15 03:08:40 2020

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