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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:

Zinc (Zn) 4 atoms

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: Sat Dec 12 11:31:02 2020

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