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Calcium 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:

Magnesium (Mg) 3 atoms
Zinc (Zn) 4 atoms
Chlorine (Cl) 4 atoms
Sodium (Na) 1 atom

Calcium Binding Sites:

The binding sites of Calcium 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 Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of the Open Conformation of Angiotensin-1 Converting Enzyme N-Domain., PDB code: 6zpq:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 6zpq

Go back to Calcium Binding Sites List in 6zpq
Calcium binding site 1 out of 4 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 Calcium with other atoms in the Ca 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:Ca722

b:31.8
occ:1.00
O22 A:BCN709 2.2 52.0 1.0
O6 A:BCN709 2.3 58.6 1.0
O6 A:BCN707 2.3 41.9 1.0
HO4 A:BCN709 2.4 58.0 1.0
O4 A:BCN709 2.4 48.4 1.0
O21 A:BCN707 2.5 30.8 1.0
HO6 A:BCN707 2.6 50.2 1.0
N1 A:BCN709 2.6 61.8 1.0
O4 A:BCN707 2.6 43.0 1.0
N1 A:BCN707 2.8 34.9 1.0
H62 A:BCN709 2.8 70.1 1.0
HO6 A:BCN709 2.8 70.3 1.0
C6 A:BCN709 2.9 58.4 1.0
C2 A:BCN709 2.9 64.9 1.0
H41 A:BCN709 3.0 65.5 1.0
HO4 A:BCN707 3.1 51.6 1.0
C4 A:BCN709 3.1 54.6 1.0
C6 A:BCN707 3.2 44.7 1.0
H61 A:BCN707 3.2 53.6 1.0
C5 A:BCN709 3.2 53.2 1.0
C1 A:BCN709 3.2 61.6 1.0
H41 A:BCN707 3.2 49.2 1.0
C4 A:BCN707 3.3 41.1 1.0
C2 A:BCN707 3.4 35.7 1.0
C3 A:BCN709 3.4 58.0 1.0
C1 A:BCN707 3.5 35.3 1.0
C5 A:BCN707 3.5 36.6 1.0
H51 A:BCN709 3.6 63.9 1.0
C3 A:BCN707 3.6 42.7 1.0
H11 A:BCN709 3.7 73.9 1.0
H12 A:BCN707 3.8 42.4 1.0
H61 A:BCN709 3.8 70.1 1.0
O21 A:BCN709 3.9 68.2 1.0
H32 A:BCN707 3.9 51.2 1.0
H51 A:BCN707 4.0 43.9 1.0
H42 A:BCN709 4.0 65.5 1.0
H31 A:BCN709 4.0 69.6 1.0
H12 A:BCN709 4.0 73.9 1.0
H62 A:BCN707 4.0 53.6 1.0
H52 A:BCN709 4.1 63.9 1.0
H32 A:BCN709 4.1 69.6 1.0
H42 A:BCN707 4.2 49.2 1.0
H52 A:BCN707 4.3 43.9 1.0
H31 A:BCN707 4.4 51.2 1.0
H11 A:BCN707 4.4 42.4 1.0
O A:HOH962 4.5 32.4 1.0
O22 A:BCN707 4.5 29.1 1.0
O A:HOH1146 4.6 36.3 1.0
O A:HOH853 4.7 36.3 1.0
O A:HOH1058 4.7 36.8 1.0
HE22 A:GLN259 4.8 42.8 1.0
HE21 A:GLN259 4.8 42.8 1.0

Calcium binding site 2 out of 4 in 6zpq

Go back to Calcium Binding Sites List in 6zpq
Calcium binding site 2 out of 4 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 Calcium with other atoms in the Ca 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:Ca718

b:28.7
occ:1.00
O B:HOH1077 2.2 39.2 1.0
O6 B:BCN706 2.3 38.3 1.0
O4 B:BCN706 2.3 37.5 1.0
O22 B:BCN706 2.4 24.8 1.0
O B:HOH1113 2.4 37.2 1.0
N1 B:BCN706 2.6 29.0 1.0
O B:HOH917 2.6 44.8 1.0
HO4 B:BCN706 2.8 45.0 1.0
HO6 B:BCN706 2.8 45.9 1.0
O B:HOH1139 2.9 48.3 1.0
C2 B:BCN706 3.2 31.2 1.0
C6 B:BCN706 3.2 39.7 1.0
C4 B:BCN706 3.3 37.0 1.0
C1 B:BCN706 3.4 33.8 1.0
C5 B:BCN706 3.4 34.2 1.0
H61 B:BCN706 3.5 47.6 1.0
H41 B:BCN706 3.5 44.3 1.0
C3 B:BCN706 3.6 32.8 1.0
H12 B:BCN706 3.7 40.5 1.0
O B:HOH1159 3.7 56.4 1.0
H51 B:BCN706 3.8 41.1 1.0
H62 B:BCN706 4.1 47.6 1.0
H32 B:BCN706 4.1 39.3 1.0
H42 B:BCN706 4.2 44.3 1.0
O B:HOH1088 4.2 43.8 1.0
H11 B:BCN706 4.2 40.5 1.0
H52 B:BCN706 4.2 41.1 1.0
H31 B:BCN706 4.3 39.3 1.0
O B:HOH947 4.4 27.4 1.0
O21 B:BCN706 4.4 25.5 1.0
O B:HOH896 4.5 31.7 1.0
O B:HOH1158 4.5 29.5 1.0
O B:HOH1145 4.5 45.7 1.0
O B:HOH1027 4.5 36.6 1.0
HE22 B:GLN259 4.8 34.0 1.0
HE2 B:HIS331 5.0 0.5 1.0
HE21 B:GLN259 5.0 34.0 1.0
O B:HOH1123 5.0 51.8 1.0

Calcium binding site 3 out of 4 in 6zpq

Go back to Calcium Binding Sites List in 6zpq
Calcium binding site 3 out of 4 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 Calcium with other atoms in the Ca 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:Ca715

b:30.4
occ:1.00
O6 C:BCN706 2.2 40.6 1.0
O4 C:BCN706 2.3 45.7 1.0
O C:HOH1050 2.3 36.9 1.0
HO6 C:BCN706 2.3 48.6 1.0
O C:HOH1108 2.4 36.4 1.0
O22 C:BCN706 2.4 31.4 1.0
O C:HOH1019 2.5 40.4 1.0
HO4 C:BCN706 2.5 54.8 1.0
N1 C:BCN706 2.7 29.0 1.0
O C:HOH1133 3.0 48.1 1.0
C4 C:BCN706 3.2 36.4 1.0
H41 C:BCN706 3.3 43.7 1.0
C2 C:BCN706 3.3 34.2 1.0
C6 C:BCN706 3.3 34.2 1.0
C1 C:BCN706 3.4 28.7 1.0
C3 C:BCN706 3.4 34.8 1.0
C5 C:BCN706 3.5 29.9 1.0
H12 C:BCN706 3.6 34.4 1.0
H32 C:BCN706 3.8 41.7 1.0
H61 C:BCN706 3.8 41.0 1.0
O C:HOH826 4.0 61.0 1.0
H42 C:BCN706 4.0 43.7 1.0
H62 C:BCN706 4.0 41.0 1.0
H51 C:BCN706 4.1 35.8 1.0
H52 C:BCN706 4.2 35.8 1.0
H31 C:BCN706 4.2 41.7 1.0
H11 C:BCN706 4.3 34.4 1.0
O C:HOH1150 4.5 31.5 1.0
O21 C:BCN706 4.5 26.6 1.0
O C:HOH1056 4.5 34.8 1.0
O C:HOH1141 4.6 45.7 1.0
O C:HOH1034 4.6 33.9 1.0
O C:HOH956 4.6 32.0 1.0
HE22 C:GLN259 4.8 38.6 1.0
HE21 C:GLN259 4.9 38.6 1.0
O C:HOH1086 4.9 49.3 1.0

Calcium binding site 4 out of 4 in 6zpq

Go back to Calcium Binding Sites List in 6zpq
Calcium binding site 4 out of 4 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 Calcium with other atoms in the Ca binding site number 4 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
D:Ca717

b:26.6
occ:1.00
H11 D:EDO711 2.1 56.4 1.0
HO6 D:BCN707 2.2 41.2 1.0
O6 D:BCN707 2.2 34.3 1.0
O D:HOH898 2.3 43.6 1.0
O21 D:BCN707 2.3 24.0 1.0
O D:HOH1123 2.3 35.2 1.0
O2 D:EDO711 2.4 50.6 1.0
O4 D:BCN707 2.7 41.9 1.0
N1 D:BCN707 2.8 29.6 1.0
C1 D:EDO711 2.8 47.0 1.0
C2 D:EDO711 2.9 45.5 1.0
H22 D:EDO711 3.0 54.6 1.0
HO4 D:BCN707 3.1 50.3 1.0
C2 D:BCN707 3.2 33.8 1.0
HO2 D:EDO711 3.2 60.7 1.0
H41 D:BCN707 3.3 43.9 1.0
C6 D:BCN707 3.4 38.5 1.0
C4 D:BCN707 3.4 36.6 1.0
C1 D:BCN707 3.4 35.7 1.0
O1 D:EDO711 3.4 62.1 1.0
C3 D:BCN707 3.6 32.1 1.0
C5 D:BCN707 3.6 37.0 1.0
HO1 D:EDO711 3.7 74.5 1.0
H12 D:BCN707 3.7 42.8 1.0
H12 D:EDO711 3.7 56.4 1.0
H61 D:BCN707 3.8 46.2 1.0
H32 D:BCN707 4.0 38.5 1.0
H21 D:EDO711 4.0 54.6 1.0
H62 D:BCN707 4.1 46.2 1.0
H51 D:BCN707 4.2 44.4 1.0
O D:HOH968 4.2 39.3 1.0
H11 D:BCN707 4.3 42.8 1.0
H42 D:BCN707 4.3 43.9 1.0
H52 D:BCN707 4.3 44.4 1.0
O D:HOH925 4.4 35.8 1.0
H31 D:BCN707 4.4 38.5 1.0
O22 D:BCN707 4.4 24.9 1.0
O D:HOH1061 4.5 30.0 1.0
O D:HOH1188 4.5 26.9 1.0
O D:HOH1174 4.6 41.7 1.0
O D:HOH1069 4.7 31.9 1.0
HE22 D:GLN259 4.7 37.4 1.0
O D:HOH990 4.8 53.1 1.0
HE21 D:GLN259 4.8 37.4 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: Wed Jul 9 20:36:10 2025

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