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:
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: Thu Jul 18 22:44:57 2024
|