Calcium in PDB 6zpt: Crystal Structure of the Open Conformation of S2_S'-Mutant Human Angiotensin-1 Converting Enzyme N-Domain.
Enzymatic activity of Crystal Structure of the Open Conformation of S2_S'-Mutant Human Angiotensin-1 Converting Enzyme N-Domain.
All present enzymatic activity of Crystal Structure of the Open Conformation of S2_S'-Mutant Human Angiotensin-1 Converting Enzyme N-Domain.:
3.4.15.1;
Protein crystallography data
The structure of Crystal Structure of the Open Conformation of S2_S'-Mutant Human Angiotensin-1 Converting Enzyme N-Domain., PDB code: 6zpt
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)
|
69.05 /
2.80
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
73.650,
99.257,
127.980,
98.63,
89.63,
111.15
|
R / Rfree (%)
|
22.4 /
27.8
|
Other elements in 6zpt:
The structure of Crystal Structure of the Open Conformation of S2_S'-Mutant Human 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 S2_S'-Mutant Human Angiotensin-1 Converting Enzyme N-Domain.
(pdb code 6zpt). 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 S2_S'-Mutant Human Angiotensin-1 Converting Enzyme N-Domain., PDB code: 6zpt:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 6zpt
Go back to
Calcium Binding Sites List in 6zpt
Calcium binding site 1 out
of 4 in the Crystal Structure of the Open Conformation of S2_S'-Mutant Human 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 S2_S'-Mutant Human Angiotensin-1 Converting Enzyme N-Domain. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca706
b:55.3
occ:1.00
|
O4
|
A:BCN701
|
2.3
|
69.6
|
1.0
|
O21
|
A:BCN701
|
2.4
|
60.1
|
1.0
|
O
|
A:HOH812
|
2.4
|
48.1
|
1.0
|
O
|
A:HOH802
|
2.4
|
49.4
|
1.0
|
O6
|
A:BCN701
|
2.6
|
53.8
|
1.0
|
N1
|
A:BCN701
|
2.7
|
60.2
|
1.0
|
HO4
|
A:BCN701
|
2.9
|
83.5
|
1.0
|
H41
|
A:BCN701
|
3.0
|
70.7
|
1.0
|
HO6
|
A:BCN701
|
3.0
|
64.5
|
1.0
|
C4
|
A:BCN701
|
3.0
|
58.9
|
1.0
|
C2
|
A:BCN701
|
3.2
|
53.4
|
1.0
|
C6
|
A:BCN701
|
3.4
|
54.0
|
1.0
|
C1
|
A:BCN701
|
3.4
|
56.7
|
1.0
|
H61
|
A:BCN701
|
3.4
|
64.8
|
1.0
|
C3
|
A:BCN701
|
3.4
|
55.7
|
1.0
|
H12
|
A:BCN701
|
3.6
|
68.0
|
1.0
|
C5
|
A:BCN701
|
3.6
|
57.5
|
1.0
|
H32
|
A:BCN701
|
3.9
|
66.9
|
1.0
|
H42
|
A:BCN701
|
3.9
|
70.7
|
1.0
|
H51
|
A:BCN701
|
4.1
|
69.0
|
1.0
|
H31
|
A:BCN701
|
4.2
|
66.9
|
1.0
|
H62
|
A:BCN701
|
4.3
|
64.8
|
1.0
|
H11
|
A:BCN701
|
4.3
|
68.0
|
1.0
|
H52
|
A:BCN701
|
4.4
|
69.0
|
1.0
|
O22
|
A:BCN701
|
4.4
|
48.3
|
1.0
|
HE1
|
A:HIS331
|
4.5
|
89.0
|
1.0
|
HE22
|
A:GLN259
|
4.8
|
46.4
|
1.0
|
|
Calcium binding site 2 out
of 4 in 6zpt
Go back to
Calcium Binding Sites List in 6zpt
Calcium binding site 2 out
of 4 in the Crystal Structure of the Open Conformation of S2_S'-Mutant Human 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 S2_S'-Mutant Human Angiotensin-1 Converting Enzyme N-Domain. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca708
b:60.7
occ:1.00
|
O22
|
B:BCN703
|
2.4
|
62.1
|
1.0
|
O
|
B:HOH802
|
2.4
|
55.1
|
1.0
|
O4
|
B:BCN703
|
2.5
|
61.2
|
1.0
|
O6
|
B:BCN703
|
2.5
|
53.2
|
1.0
|
O
|
B:HOH809
|
2.5
|
68.9
|
1.0
|
HO6
|
B:BCN703
|
2.7
|
63.8
|
1.0
|
O
|
B:HOH805
|
2.8
|
48.4
|
1.0
|
N1
|
B:BCN703
|
2.9
|
59.2
|
1.0
|
HO4
|
B:BCN703
|
2.9
|
73.5
|
1.0
|
H41
|
B:BCN703
|
3.2
|
60.2
|
1.0
|
C4
|
B:BCN703
|
3.2
|
50.2
|
1.0
|
H61
|
B:BCN703
|
3.3
|
69.5
|
1.0
|
C6
|
B:BCN703
|
3.3
|
57.9
|
1.0
|
C2
|
B:BCN703
|
3.3
|
60.3
|
1.0
|
C1
|
B:BCN703
|
3.6
|
58.0
|
1.0
|
C3
|
B:BCN703
|
3.6
|
51.8
|
1.0
|
C5
|
B:BCN703
|
3.7
|
58.1
|
1.0
|
H12
|
B:BCN703
|
3.8
|
69.5
|
1.0
|
H32
|
B:BCN703
|
4.0
|
62.2
|
1.0
|
H42
|
B:BCN703
|
4.1
|
60.2
|
1.0
|
H51
|
B:BCN703
|
4.2
|
69.7
|
1.0
|
H62
|
B:BCN703
|
4.2
|
69.5
|
1.0
|
HE22
|
B:GLN259
|
4.4
|
67.5
|
1.0
|
H31
|
B:BCN703
|
4.4
|
62.2
|
1.0
|
H52
|
B:BCN703
|
4.4
|
69.7
|
1.0
|
H11
|
B:BCN703
|
4.5
|
69.5
|
1.0
|
O21
|
B:BCN703
|
4.5
|
62.8
|
1.0
|
HE21
|
B:GLN259
|
4.8
|
67.5
|
1.0
|
HE1
|
B:HIS331
|
4.8
|
0.5
|
1.0
|
NE2
|
B:GLN259
|
4.9
|
56.3
|
1.0
|
|
Calcium binding site 3 out
of 4 in 6zpt
Go back to
Calcium Binding Sites List in 6zpt
Calcium binding site 3 out
of 4 in the Crystal Structure of the Open Conformation of S2_S'-Mutant Human 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 S2_S'-Mutant Human Angiotensin-1 Converting Enzyme N-Domain. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca709
b:69.1
occ:1.00
|
O22
|
C:BCN706
|
2.5
|
58.6
|
1.0
|
O4
|
C:BCN706
|
2.6
|
71.4
|
1.0
|
O6
|
C:BCN706
|
2.7
|
62.2
|
1.0
|
HO6
|
C:BCN706
|
2.9
|
74.6
|
1.0
|
HO4
|
C:BCN706
|
3.1
|
85.7
|
1.0
|
N1
|
C:BCN706
|
3.1
|
61.8
|
1.0
|
H41
|
C:BCN706
|
3.3
|
81.0
|
1.0
|
C4
|
C:BCN706
|
3.4
|
67.5
|
1.0
|
C2
|
C:BCN706
|
3.5
|
57.9
|
1.0
|
H61
|
C:BCN706
|
3.5
|
74.9
|
1.0
|
C6
|
C:BCN706
|
3.6
|
62.4
|
1.0
|
C1
|
C:BCN706
|
3.7
|
57.8
|
1.0
|
C3
|
C:BCN706
|
3.8
|
65.4
|
1.0
|
H12
|
C:BCN706
|
3.9
|
69.3
|
1.0
|
C5
|
C:BCN706
|
3.9
|
58.2
|
1.0
|
H32
|
C:BCN706
|
4.3
|
78.5
|
1.0
|
H42
|
C:BCN706
|
4.3
|
81.0
|
1.0
|
H51
|
C:BCN706
|
4.4
|
69.8
|
1.0
|
H62
|
C:BCN706
|
4.4
|
74.9
|
1.0
|
HE1
|
C:HIS331
|
4.6
|
0.4
|
1.0
|
O21
|
C:BCN706
|
4.6
|
59.2
|
1.0
|
H31
|
C:BCN706
|
4.6
|
78.5
|
1.0
|
H11
|
C:BCN706
|
4.6
|
69.3
|
1.0
|
H52
|
C:BCN706
|
4.7
|
69.8
|
1.0
|
HE22
|
C:GLN259
|
4.9
|
60.6
|
1.0
|
|
Calcium binding site 4 out
of 4 in 6zpt
Go back to
Calcium Binding Sites List in 6zpt
Calcium binding site 4 out
of 4 in the Crystal Structure of the Open Conformation of S2_S'-Mutant Human 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 S2_S'-Mutant Human Angiotensin-1 Converting Enzyme N-Domain. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca707
b:58.5
occ:1.00
|
O21
|
D:BCN703
|
2.5
|
61.7
|
1.0
|
O4
|
D:BCN703
|
2.5
|
58.4
|
1.0
|
O
|
D:HOH801
|
2.7
|
54.4
|
1.0
|
O6
|
D:BCN703
|
2.7
|
58.4
|
1.0
|
HO4
|
D:BCN703
|
2.9
|
70.1
|
1.0
|
HO6
|
D:BCN703
|
2.9
|
70.1
|
1.0
|
N1
|
D:BCN703
|
3.1
|
58.4
|
1.0
|
H41
|
D:BCN703
|
3.3
|
59.1
|
1.0
|
C4
|
D:BCN703
|
3.4
|
49.3
|
1.0
|
C2
|
D:BCN703
|
3.4
|
55.2
|
1.0
|
C6
|
D:BCN703
|
3.6
|
61.6
|
1.0
|
H61
|
D:BCN703
|
3.6
|
74.0
|
1.0
|
C1
|
D:BCN703
|
3.7
|
63.9
|
1.0
|
C3
|
D:BCN703
|
3.8
|
49.6
|
1.0
|
H12
|
D:BCN703
|
3.9
|
76.7
|
1.0
|
C5
|
D:BCN703
|
4.0
|
51.8
|
1.0
|
H32
|
D:BCN703
|
4.2
|
59.5
|
1.0
|
H42
|
D:BCN703
|
4.2
|
59.1
|
1.0
|
H51
|
D:BCN703
|
4.5
|
62.2
|
1.0
|
H62
|
D:BCN703
|
4.5
|
74.0
|
1.0
|
HE1
|
D:HIS331
|
4.6
|
99.6
|
1.0
|
O22
|
D:BCN703
|
4.6
|
52.0
|
1.0
|
H31
|
D:BCN703
|
4.6
|
59.5
|
1.0
|
H11
|
D:BCN703
|
4.6
|
76.7
|
1.0
|
H52
|
D:BCN703
|
4.7
|
62.2
|
1.0
|
H21
|
D:EDO702
|
4.9
|
80.6
|
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
|