Calcium in PDB 7z6z: Crystal Structure of Angiotensin-1 Converting Enzyme N-Domain in Complex with Fosinoprilat
Protein crystallography data
The structure of Crystal Structure of Angiotensin-1 Converting Enzyme N-Domain in Complex with Fosinoprilat, PDB code: 7z6z
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)
|
63.46 /
1.75
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
72.575,
77.8,
81.592,
88.92,
64.62,
74.81
|
R / Rfree (%)
|
17.2 /
20
|
Other elements in 7z6z:
The structure of Crystal Structure of Angiotensin-1 Converting Enzyme N-Domain in Complex with Fosinoprilat also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of Angiotensin-1 Converting Enzyme N-Domain in Complex with Fosinoprilat
(pdb code 7z6z). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the
Crystal Structure of Angiotensin-1 Converting Enzyme N-Domain in Complex with Fosinoprilat, PDB code: 7z6z:
Jump to Calcium binding site number:
1;
2;
3;
Calcium binding site 1 out
of 3 in 7z6z
Go back to
Calcium Binding Sites List in 7z6z
Calcium binding site 1 out
of 3 in the Crystal Structure of Angiotensin-1 Converting Enzyme N-Domain in Complex with Fosinoprilat
![](/pictures/CA/pdb/z6/7z6z-CA-sphere_01.jpg) Mono view
![](/pictures/CA/pdb/z6/7z6z-CA-sphere_01_stereo.jpg) Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Crystal Structure of Angiotensin-1 Converting Enzyme N-Domain in Complex with Fosinoprilat within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca722
b:65.5
occ:1.00
|
OD1
|
A:ASN263
|
2.4
|
37.4
|
1.0
|
O
|
A:HOH1034
|
2.4
|
39.4
|
1.0
|
O
|
A:HOH1095
|
2.4
|
45.8
|
1.0
|
OD1
|
A:ASP354
|
2.6
|
39.7
|
1.0
|
OE1
|
A:GLU262
|
2.8
|
55.8
|
1.0
|
OE2
|
A:GLU262
|
3.0
|
47.1
|
1.0
|
CD
|
A:GLU262
|
3.3
|
50.4
|
1.0
|
O
|
A:HOH1137
|
3.4
|
52.2
|
1.0
|
CG
|
A:ASP354
|
3.5
|
36.9
|
1.0
|
CG
|
A:ASN263
|
3.5
|
34.1
|
1.0
|
HB3
|
A:ASP354
|
3.8
|
43.5
|
1.0
|
HB
|
A:THR352
|
3.8
|
35.9
|
1.0
|
H
|
A:ASP354
|
3.8
|
32.5
|
1.0
|
HA
|
A:ASN263
|
3.9
|
35.2
|
1.0
|
HG1
|
A:THR280
|
3.9
|
34.8
|
1.0
|
HD21
|
A:ASN263
|
4.0
|
40.9
|
1.0
|
O
|
A:HOH979
|
4.1
|
42.2
|
1.0
|
ND2
|
A:ASN263
|
4.2
|
34.1
|
1.0
|
CB
|
A:ASP354
|
4.2
|
36.3
|
1.0
|
HG1
|
A:THR352
|
4.3
|
33.3
|
1.0
|
OD2
|
A:ASP354
|
4.4
|
43.2
|
1.0
|
CA
|
A:ASN263
|
4.6
|
29.4
|
1.0
|
HB1
|
A:ALA148
|
4.6
|
43.7
|
1.0
|
CB
|
A:ASN263
|
4.6
|
31.7
|
1.0
|
CB
|
A:THR352
|
4.6
|
29.9
|
1.0
|
N
|
A:ASP354
|
4.6
|
27.1
|
1.0
|
OG1
|
A:THR280
|
4.7
|
29.0
|
1.0
|
HG21
|
A:THR352
|
4.7
|
33.4
|
1.0
|
O
|
A:HOH898
|
4.7
|
39.2
|
1.0
|
CG
|
A:GLU262
|
4.8
|
38.1
|
1.0
|
OG1
|
A:THR352
|
4.8
|
27.8
|
1.0
|
H
|
A:MET353
|
4.9
|
33.1
|
1.0
|
HB3
|
A:MET353
|
4.9
|
33.6
|
1.0
|
N
|
A:ASN263
|
4.9
|
26.8
|
1.0
|
HB2
|
A:ASP354
|
4.9
|
43.5
|
1.0
|
HB3
|
A:ASN263
|
5.0
|
38.0
|
1.0
|
NA
|
A:NA723
|
5.0
|
46.3
|
1.0
|
|
Calcium binding site 2 out
of 3 in 7z6z
Go back to
Calcium Binding Sites List in 7z6z
Calcium binding site 2 out
of 3 in the Crystal Structure of Angiotensin-1 Converting Enzyme N-Domain in Complex with Fosinoprilat
![](/pictures/CA/pdb/z6/7z6z-CA-sphere_02.jpg) Mono view
![](/pictures/CA/pdb/z6/7z6z-CA-sphere_02_stereo.jpg) Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Crystal Structure of Angiotensin-1 Converting Enzyme N-Domain in Complex with Fosinoprilat within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca722
b:50.7
occ:1.00
|
O
|
B:ACT712
|
2.6
|
61.2
|
1.0
|
O2
|
B:EDO715
|
2.6
|
39.3
|
1.0
|
O2
|
B:EDO716
|
2.7
|
40.8
|
1.0
|
O1
|
B:EDO716
|
2.9
|
45.8
|
1.0
|
O
|
B:HOH1049
|
2.9
|
52.7
|
1.0
|
O1
|
B:EDO715
|
2.9
|
51.2
|
1.0
|
H12
|
B:EDO716
|
3.3
|
50.5
|
1.0
|
HO2
|
B:EDO716
|
3.3
|
48.9
|
1.0
|
C1
|
B:EDO716
|
3.3
|
42.1
|
1.0
|
C2
|
B:EDO716
|
3.3
|
43.0
|
1.0
|
HO2
|
B:EDO715
|
3.4
|
47.1
|
1.0
|
H21
|
B:EDO716
|
3.4
|
51.5
|
1.0
|
C2
|
B:EDO715
|
3.5
|
41.9
|
1.0
|
H21
|
B:EDO715
|
3.5
|
50.2
|
1.0
|
HO1
|
B:EDO716
|
3.5
|
54.9
|
1.0
|
HO1
|
B:EDO715
|
3.6
|
61.4
|
1.0
|
C
|
B:ACT712
|
3.6
|
53.1
|
1.0
|
C1
|
B:EDO715
|
3.7
|
44.0
|
1.0
|
H2
|
B:ACT712
|
4.0
|
63.0
|
1.0
|
H12
|
B:EDO715
|
4.2
|
52.7
|
1.0
|
CH3
|
B:ACT712
|
4.3
|
52.5
|
1.0
|
H22
|
B:EDO716
|
4.4
|
51.5
|
1.0
|
H11
|
B:EDO716
|
4.4
|
50.5
|
1.0
|
H22
|
B:EDO715
|
4.5
|
50.2
|
1.0
|
OXT
|
B:ACT712
|
4.5
|
48.7
|
1.0
|
H3
|
B:ACT712
|
4.6
|
63.0
|
1.0
|
H11
|
B:EDO715
|
4.6
|
52.7
|
1.0
|
|
Calcium binding site 3 out
of 3 in 7z6z
Go back to
Calcium Binding Sites List in 7z6z
Calcium binding site 3 out
of 3 in the Crystal Structure of Angiotensin-1 Converting Enzyme N-Domain in Complex with Fosinoprilat
![](/pictures/CA/pdb/z6/7z6z-CA-sphere_03.jpg) Mono view
![](/pictures/CA/pdb/z6/7z6z-CA-sphere_03_stereo.jpg) Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Crystal Structure of Angiotensin-1 Converting Enzyme N-Domain in Complex with Fosinoprilat within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca723
b:55.5
occ:1.00
|
O
|
B:HOH812
|
2.1
|
34.5
|
1.0
|
O
|
B:HOH911
|
2.2
|
40.2
|
1.0
|
OE2
|
B:GLU262
|
2.4
|
45.1
|
1.0
|
O
|
B:HOH1068
|
2.5
|
36.8
|
1.0
|
OD1
|
B:ASN263
|
2.8
|
34.1
|
1.0
|
OD2
|
B:ASP354
|
3.0
|
48.5
|
1.0
|
CD
|
B:GLU262
|
3.3
|
40.0
|
1.0
|
HB2
|
B:ASP354
|
3.5
|
40.7
|
1.0
|
CG
|
B:ASP354
|
3.5
|
36.5
|
1.0
|
HG2
|
B:GLU262
|
3.7
|
37.3
|
1.0
|
OG
|
B:SER260
|
3.8
|
40.5
|
1.0
|
HG
|
B:SER260
|
3.8
|
48.6
|
1.0
|
CG
|
B:ASN263
|
3.8
|
32.7
|
1.0
|
HD22
|
B:ASN263
|
3.9
|
37.6
|
1.0
|
CB
|
B:ASP354
|
3.9
|
33.9
|
1.0
|
HB3
|
B:ASP354
|
4.0
|
40.7
|
1.0
|
CG
|
B:GLU262
|
4.0
|
31.1
|
1.0
|
HG3
|
B:GLU262
|
4.1
|
37.3
|
1.0
|
OE1
|
B:GLU262
|
4.2
|
34.7
|
1.0
|
ND2
|
B:ASN263
|
4.2
|
31.4
|
1.0
|
O
|
B:HOH1086
|
4.3
|
39.0
|
1.0
|
O
|
B:HOH908
|
4.3
|
26.2
|
1.0
|
OD1
|
B:ASP354
|
4.3
|
37.0
|
1.0
|
O
|
B:HOH804
|
4.4
|
37.9
|
1.0
|
OD2
|
B:ASP255
|
4.4
|
24.1
|
1.0
|
HB2
|
B:ASP255
|
4.4
|
30.4
|
1.0
|
O
|
B:HOH1083
|
4.5
|
38.6
|
1.0
|
O
|
B:HOH891
|
4.6
|
45.7
|
1.0
|
H
|
B:ASN263
|
4.8
|
30.5
|
1.0
|
O
|
B:HOH973
|
4.8
|
24.7
|
1.0
|
|
Reference:
G.E.Cozier,
E.C.Newby,
S.L.U.Schwager,
R.E.Isaac,
E.D.Sturrock,
K.R.Acharya.
Structural Basis For the Inhibition of Human Angiotensin-1 Converting Enzyme By Fosinoprilat. Febs J. V. 289 6659 2022.
ISSN: ISSN 1742-464X
PubMed: 35653492
DOI: 10.1111/FEBS.16543
Page generated: Fri Jul 19 06:28:07 2024
|