Chlorine in PDB 5ama: Crystal Structure of the Angiotensin-1 Converting Enzyme N-Domain in Complex with Amyloid-Beta 1-16
Enzymatic activity of Crystal Structure of the Angiotensin-1 Converting Enzyme N-Domain in Complex with Amyloid-Beta 1-16
All present enzymatic activity of Crystal Structure of the Angiotensin-1 Converting Enzyme N-Domain in Complex with Amyloid-Beta 1-16:
3.4.15.1;
Protein crystallography data
The structure of Crystal Structure of the Angiotensin-1 Converting Enzyme N-Domain in Complex with Amyloid-Beta 1-16, PDB code: 5ama
was solved by
G.Masuyer,
K.M.Larmuth,
R.G.Douglas,
E.D.Sturrock,
K.R.Acharya,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
113.48 /
1.80
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
73.340,
101.730,
114.140,
85.09,
85.62,
81.30
|
R / Rfree (%)
|
18.7 /
21.8
|
Other elements in 5ama:
The structure of Crystal Structure of the Angiotensin-1 Converting Enzyme N-Domain in Complex with Amyloid-Beta 1-16 also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of the Angiotensin-1 Converting Enzyme N-Domain in Complex with Amyloid-Beta 1-16
(pdb code 5ama). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the
Crystal Structure of the Angiotensin-1 Converting Enzyme N-Domain in Complex with Amyloid-Beta 1-16, PDB code: 5ama:
Jump to Chlorine binding site number:
1;
2;
3;
4;
Chlorine binding site 1 out
of 4 in 5ama
Go back to
Chlorine Binding Sites List in 5ama
Chlorine binding site 1 out
of 4 in the Crystal Structure of the Angiotensin-1 Converting Enzyme N-Domain in Complex with Amyloid-Beta 1-16
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of the Angiotensin-1 Converting Enzyme N-Domain in Complex with Amyloid-Beta 1-16 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1002
b:18.4
occ:1.00
|
O
|
A:HOH2201
|
3.1
|
20.4
|
1.0
|
OH
|
A:TYR202
|
3.2
|
20.6
|
1.0
|
NE
|
A:ARG500
|
3.2
|
17.7
|
1.0
|
NH2
|
A:ARG500
|
3.5
|
18.5
|
1.0
|
CB
|
A:ARG500
|
3.6
|
16.5
|
1.0
|
CB
|
A:PRO497
|
3.7
|
16.4
|
1.0
|
N
|
A:ARG500
|
3.7
|
16.0
|
1.0
|
CB
|
A:PRO385
|
3.7
|
19.6
|
1.0
|
CE2
|
A:TYR202
|
3.8
|
21.6
|
1.0
|
CZ
|
A:ARG500
|
3.8
|
18.0
|
1.0
|
CE3
|
A:TRP201
|
3.9
|
24.6
|
1.0
|
CG2
|
A:ILE499
|
3.9
|
15.4
|
1.0
|
CZ3
|
A:TRP201
|
3.9
|
24.7
|
1.0
|
CG
|
A:PRO385
|
3.9
|
19.8
|
1.0
|
CZ
|
A:TYR202
|
3.9
|
21.5
|
1.0
|
CG
|
A:ARG500
|
4.1
|
16.6
|
1.0
|
CA
|
A:ARG500
|
4.1
|
16.2
|
1.0
|
CD
|
A:ARG500
|
4.3
|
17.1
|
1.0
|
CG
|
A:PRO497
|
4.5
|
16.6
|
1.0
|
N
|
A:ILE499
|
4.7
|
15.1
|
1.0
|
C
|
A:PRO497
|
4.7
|
15.8
|
1.0
|
CD
|
A:PRO385
|
4.7
|
19.7
|
1.0
|
C
|
A:ILE499
|
4.7
|
15.5
|
1.0
|
CA
|
A:PRO497
|
4.8
|
16.2
|
1.0
|
O
|
A:HOH2343
|
4.9
|
18.7
|
1.0
|
O
|
A:PRO497
|
4.9
|
16.1
|
1.0
|
N
|
A:TYR498
|
5.0
|
15.3
|
1.0
|
|
Chlorine binding site 2 out
of 4 in 5ama
Go back to
Chlorine Binding Sites List in 5ama
Chlorine binding site 2 out
of 4 in the Crystal Structure of the Angiotensin-1 Converting Enzyme N-Domain in Complex with Amyloid-Beta 1-16
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of the Angiotensin-1 Converting Enzyme N-Domain in Complex with Amyloid-Beta 1-16 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1002
b:16.2
occ:1.00
|
OH
|
B:TYR202
|
3.1
|
17.2
|
1.0
|
O
|
B:HOH2203
|
3.1
|
15.2
|
1.0
|
NE
|
B:ARG500
|
3.2
|
14.2
|
1.0
|
NH2
|
B:ARG500
|
3.6
|
15.0
|
1.0
|
CB
|
B:ARG500
|
3.6
|
13.8
|
1.0
|
CB
|
B:PRO497
|
3.6
|
14.2
|
1.0
|
CB
|
B:PRO385
|
3.7
|
14.9
|
1.0
|
CE2
|
B:TYR202
|
3.7
|
18.0
|
1.0
|
N
|
B:ARG500
|
3.8
|
13.9
|
1.0
|
CZ
|
B:TYR202
|
3.8
|
18.0
|
1.0
|
CG
|
B:PRO385
|
3.9
|
15.1
|
1.0
|
CZ
|
B:ARG500
|
3.9
|
14.6
|
1.0
|
CE3
|
B:TRP201
|
4.0
|
23.7
|
1.0
|
CZ3
|
B:TRP201
|
4.0
|
23.6
|
1.0
|
CG2
|
B:ILE499
|
4.0
|
14.4
|
1.0
|
CG
|
B:ARG500
|
4.1
|
13.8
|
1.0
|
CA
|
B:ARG500
|
4.1
|
13.8
|
1.0
|
CD
|
B:ARG500
|
4.2
|
14.1
|
1.0
|
CG
|
B:PRO497
|
4.5
|
14.2
|
1.0
|
C
|
B:PRO497
|
4.7
|
13.9
|
1.0
|
N
|
B:ILE499
|
4.7
|
13.7
|
1.0
|
C
|
B:ILE499
|
4.8
|
13.9
|
1.0
|
CD
|
B:PRO385
|
4.8
|
15.2
|
1.0
|
CA
|
B:PRO497
|
4.8
|
13.8
|
1.0
|
O
|
B:HOH2374
|
4.8
|
16.6
|
1.0
|
O
|
B:PRO497
|
4.9
|
13.8
|
1.0
|
N
|
B:TYR498
|
5.0
|
13.2
|
1.0
|
|
Chlorine binding site 3 out
of 4 in 5ama
Go back to
Chlorine Binding Sites List in 5ama
Chlorine binding site 3 out
of 4 in the Crystal Structure of the Angiotensin-1 Converting Enzyme N-Domain in Complex with Amyloid-Beta 1-16
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of the Angiotensin-1 Converting Enzyme N-Domain in Complex with Amyloid-Beta 1-16 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl1002
b:14.9
occ:1.00
|
OH
|
C:TYR202
|
3.1
|
15.8
|
1.0
|
O
|
C:HOH2227
|
3.1
|
15.4
|
1.0
|
NE
|
C:ARG500
|
3.2
|
12.6
|
1.0
|
NH2
|
C:ARG500
|
3.5
|
13.0
|
1.0
|
CB
|
C:ARG500
|
3.6
|
11.9
|
1.0
|
N
|
C:ARG500
|
3.7
|
11.7
|
1.0
|
CB
|
C:PRO385
|
3.7
|
13.1
|
1.0
|
CB
|
C:PRO497
|
3.7
|
13.3
|
1.0
|
CE2
|
C:TYR202
|
3.7
|
16.7
|
1.0
|
CZ
|
C:TYR202
|
3.8
|
16.4
|
1.0
|
CG2
|
C:ILE499
|
3.8
|
12.1
|
1.0
|
CG
|
C:PRO385
|
3.9
|
13.1
|
1.0
|
CZ
|
C:ARG500
|
3.9
|
12.9
|
1.0
|
CE3
|
C:TRP201
|
3.9
|
21.9
|
1.0
|
CZ3
|
C:TRP201
|
4.0
|
21.8
|
1.0
|
CG
|
C:ARG500
|
4.0
|
12.0
|
1.0
|
CA
|
C:ARG500
|
4.1
|
11.8
|
1.0
|
CD
|
C:ARG500
|
4.2
|
12.2
|
1.0
|
CG
|
C:PRO497
|
4.6
|
13.5
|
1.0
|
N
|
C:ILE499
|
4.7
|
11.9
|
1.0
|
CD
|
C:PRO385
|
4.7
|
13.2
|
1.0
|
C
|
C:ILE499
|
4.7
|
11.7
|
1.0
|
C
|
C:PRO497
|
4.8
|
12.9
|
1.0
|
O
|
C:HOH2408
|
4.8
|
13.9
|
1.0
|
CA
|
C:PRO497
|
4.9
|
13.1
|
1.0
|
O
|
C:PRO497
|
5.0
|
12.8
|
1.0
|
N
|
C:TYR498
|
5.0
|
12.5
|
1.0
|
|
Chlorine binding site 4 out
of 4 in 5ama
Go back to
Chlorine Binding Sites List in 5ama
Chlorine binding site 4 out
of 4 in the Crystal Structure of the Angiotensin-1 Converting Enzyme N-Domain in Complex with Amyloid-Beta 1-16
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of the Angiotensin-1 Converting Enzyme N-Domain in Complex with Amyloid-Beta 1-16 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl1002
b:15.9
occ:1.00
|
O
|
D:HOH2187
|
3.0
|
17.4
|
1.0
|
OH
|
D:TYR202
|
3.1
|
15.6
|
1.0
|
NE
|
D:ARG500
|
3.1
|
13.3
|
1.0
|
NH2
|
D:ARG500
|
3.5
|
14.7
|
1.0
|
CB
|
D:ARG500
|
3.6
|
12.4
|
1.0
|
CB
|
D:PRO497
|
3.7
|
13.9
|
1.0
|
CE2
|
D:TYR202
|
3.7
|
16.3
|
1.0
|
N
|
D:ARG500
|
3.7
|
12.1
|
1.0
|
CB
|
D:PRO385
|
3.8
|
15.4
|
1.0
|
CZ
|
D:ARG500
|
3.8
|
14.2
|
1.0
|
CZ
|
D:TYR202
|
3.8
|
16.1
|
1.0
|
CG
|
D:PRO385
|
3.8
|
15.5
|
1.0
|
CE3
|
D:TRP201
|
3.9
|
22.8
|
1.0
|
CZ3
|
D:TRP201
|
3.9
|
22.7
|
1.0
|
CG2
|
D:ILE499
|
3.9
|
12.3
|
1.0
|
CG
|
D:ARG500
|
4.0
|
12.7
|
1.0
|
CA
|
D:ARG500
|
4.1
|
12.3
|
1.0
|
CD
|
D:ARG500
|
4.2
|
13.0
|
1.0
|
CG
|
D:PRO497
|
4.5
|
14.3
|
1.0
|
N
|
D:ILE499
|
4.7
|
12.2
|
1.0
|
C
|
D:PRO497
|
4.7
|
13.4
|
1.0
|
C
|
D:ILE499
|
4.7
|
12.2
|
1.0
|
CD
|
D:PRO385
|
4.8
|
15.6
|
1.0
|
CA
|
D:PRO497
|
4.8
|
13.9
|
1.0
|
O
|
D:HOH2365
|
4.9
|
15.2
|
1.0
|
O
|
D:PRO497
|
4.9
|
13.3
|
1.0
|
N
|
D:TYR498
|
5.0
|
12.6
|
1.0
|
|
Reference:
K.M.Larmuth,
G.Masuyer,
R.G.Douglas,
E.D.Sturrock,
K.R.Acharya.
The Kinetic and Structural Characterisation of Amyloid-Beta Metabolism By Human Angiotensin-1- Converting Enzyme (Ace) Febs J. V. 283 1060 2016.
ISSN: ISSN 1742-464X
PubMed: 26748546
DOI: 10.1111/FEBS.13647
Page generated: Fri Jul 26 05:19:55 2024
|