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Chlorine in PDB 2ydm: Structural Characterization of Angiotensin-I Converting Enzyme in Complex with A Selenium Analogue of Captopril

Enzymatic activity of Structural Characterization of Angiotensin-I Converting Enzyme in Complex with A Selenium Analogue of Captopril

All present enzymatic activity of Structural Characterization of Angiotensin-I Converting Enzyme in Complex with A Selenium Analogue of Captopril:
3.4.15.1;

Protein crystallography data

The structure of Structural Characterization of Angiotensin-I Converting Enzyme in Complex with A Selenium Analogue of Captopril, PDB code: 2ydm was solved by M.Akif, G.Masuyer, S.L.U.Schwager, B.J.Bhuyan, G.Mugesh, 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) 132.27 / 2.44
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.143, 84.533, 132.270, 90.00, 90.00, 90.00
R / Rfree (%) 21.431 / 26.261

Other elements in 2ydm:

The structure of Structural Characterization of Angiotensin-I Converting Enzyme in Complex with A Selenium Analogue of Captopril also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structural Characterization of Angiotensin-I Converting Enzyme in Complex with A Selenium Analogue of Captopril (pdb code 2ydm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structural Characterization of Angiotensin-I Converting Enzyme in Complex with A Selenium Analogue of Captopril, PDB code: 2ydm:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2ydm

Go back to Chlorine Binding Sites List in 2ydm
Chlorine binding site 1 out of 2 in the Structural Characterization of Angiotensin-I Converting Enzyme in Complex with A Selenium Analogue of Captopril


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Characterization of Angiotensin-I Converting Enzyme in Complex with A Selenium Analogue of Captopril within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1620

b:28.5
occ:1.00
 NE A:ARG186 3.0 26.1 1.0
NH2 A:ARG186 3.1 25.7 1.0
CZ2 A:TRP486 3.3 23.8 1.0
NH2 A:ARG489 3.3 27.0 1.0
NE1 A:TRP485 3.4 29.8 1.0
CZ A:ARG186 3.5 26.0 1.0
CH2 A:TRP486 3.6 23.7 1.0
CB A:ASP507 3.8 24.1 1.0
NE A:ARG489 3.9 25.7 1.0
CZ A:ARG489 4.0 25.3 1.0
CD A:ARG186 4.2 25.4 1.0
CE2 A:TRP485 4.2 29.9 1.0
CE2 A:TRP486 4.2 24.3 1.0
CZ2 A:TRP182 4.3 27.4 1.0
CD1 A:TRP485 4.4 29.0 1.0
CZ2 A:TRP485 4.4 30.0 1.0
O A:ASP507 4.5 25.9 1.0
CG A:ASP507 4.6 23.6 1.0
C A:ASP507 4.7 24.4 1.0
CZ3 A:TRP486 4.7 24.4 1.0
CA A:ASP507 4.8 23.9 1.0
NE1 A:TRP486 4.8 24.6 1.0
NH1 A:ARG186 4.8 26.9 1.0
OD2 A:ASP507 4.9 21.6 1.0
O A:HOH2024 4.9 23.5 1.0
CE2 A:TRP182 4.9 26.9 1.0
NE1 A:TRP182 4.9 27.0 1.0

Chlorine binding site 2 out of 2 in 2ydm

Go back to Chlorine Binding Sites List in 2ydm
Chlorine binding site 2 out of 2 in the Structural Characterization of Angiotensin-I Converting Enzyme in Complex with A Selenium Analogue of Captopril


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Characterization of Angiotensin-I Converting Enzyme in Complex with A Selenium Analogue of Captopril within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1621

b:59.5
occ:1.00
 NE A:ARG522 3.0 23.9 1.0
OH A:TYR224 3.0 31.3 1.0
NH2 A:ARG522 3.2 23.3 1.0
CB A:ARG522 3.4 22.8 1.0
N A:ARG522 3.5 22.9 1.0
CZ A:ARG522 3.6 24.0 1.0
CB A:PRO407 3.6 27.9 1.0
CB A:PRO519 3.7 22.2 1.0
CE2 A:TYR224 3.8 31.9 1.0
CZ A:TYR224 3.8 32.3 1.0
CE A:MET223 3.8 46.4 1.0
CG2 A:ILE521 3.8 24.6 1.0
CA A:ARG522 3.9 23.1 1.0
CG A:PRO407 3.9 26.0 1.0
CG A:ARG522 4.0 23.2 1.0
CD A:ARG522 4.1 22.1 1.0
CG A:PRO519 4.4 24.0 1.0
C A:ILE521 4.6 23.0 1.0
C A:PRO519 4.7 23.1 1.0
CD A:PRO407 4.8 27.4 1.0
N A:ILE521 4.8 23.8 1.0
CA A:PRO519 4.8 23.1 1.0
O A:PRO519 4.8 23.6 1.0
N A:TYR520 4.9 23.1 1.0
NH1 A:ARG522 4.9 18.0 1.0
CA A:ILE521 5.0 23.0 1.0

Reference:

M.Akif, G.Masuyer, S.L.U.Schwager, B.J.Bhuyan, G.Mugesh, R.E.Isaac, E.D.Sturrock, K.R.Acharya. Structural Characterization of Angiotensin-I Converting Enzyme in Complex with A Selenium Analogue of Captopril Febs J. V. 278 3644 2011.
ISSN: ISSN 1742-464X
PubMed: 21810173
DOI: 10.1111/J.1742-4658.2011.08276.X
Page generated: Sat Dec 12 09:28:45 2020

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