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Chlorine in PDB 4aph: Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II

Enzymatic activity of Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II

All present enzymatic activity of Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II:
3.4.15.1;

Protein crystallography data

The structure of Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II, PDB code: 4aph was solved by G.Masuyer, S.L.U.Schwager, E.D.Sturrock, R.E.Isaac, K.R.Acharya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 71.57 / 1.99
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.500, 84.660, 133.970, 90.00, 90.00, 90.00
R / Rfree (%) 19.406 / 24.026

Other elements in 4aph:

The structure of Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II (pdb code 4aph). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II, PDB code: 4aph:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4aph

Go back to Chlorine Binding Sites List in 4aph
Chlorine binding site 1 out of 2 in the Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1626

b:24.5
occ:1.00
O A:HOH2112 2.9 13.9 1.0
OH A:TYR224 3.0 14.4 1.0
NE A:ARG522 3.4 12.0 1.0
CB A:ARG522 3.6 9.6 1.0
CE2 A:TYR224 3.6 15.0 1.0
N A:ARG522 3.6 9.3 1.0
CB A:PRO519 3.6 9.8 1.0
CZ A:TYR224 3.7 14.3 1.0
CB A:PRO407 3.7 12.7 1.0
CE A:MET223 3.8 21.8 1.0
CG2 A:ILE521 3.8 9.1 1.0
NH2 A:ARG522 3.9 13.1 1.0
CG A:PRO407 3.9 12.6 1.0
CA A:ARG522 4.0 9.5 1.0
CG A:ARG522 4.1 10.2 1.0
CZ A:ARG522 4.1 12.8 1.0
CD A:ARG522 4.3 11.2 1.0
C A:ILE521 4.5 9.3 1.0
CG A:PRO519 4.6 10.1 1.0
N A:ILE521 4.6 9.2 1.0
C A:PRO519 4.6 9.4 1.0
CA A:PRO519 4.8 9.7 1.0
O A:PRO519 4.8 9.2 1.0
O A:HOH2228 4.8 10.2 1.0
CD2 A:TYR224 4.8 14.2 1.0
CD A:PRO407 4.8 13.1 1.0
CA A:ILE521 4.9 9.3 1.0
N A:TYR520 4.9 8.9 1.0
CB A:ILE521 4.9 9.4 1.0

Chlorine binding site 2 out of 2 in 4aph

Go back to Chlorine Binding Sites List in 4aph
Chlorine binding site 2 out of 2 in the Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1628

b:15.2
occ:1.00
NE A:ARG186 3.2 12.6 1.0
O A:HOH2244 3.2 20.1 1.0
NE1 A:TRP485 3.4 12.7 1.0
NH2 A:ARG186 3.4 12.5 1.0
NH2 A:ARG489 3.4 9.5 1.0
CZ2 A:TRP486 3.5 11.0 1.0
CZ A:ARG186 3.7 11.9 1.0
CB A:ASP507 3.8 11.2 1.0
NE A:ARG489 3.9 9.5 1.0
CH2 A:TRP486 3.9 10.9 1.0
CZ A:ARG489 4.0 9.7 1.0
CE2 A:TRP485 4.2 13.2 1.0
CD A:ARG186 4.3 12.6 1.0
CZ2 A:TRP485 4.3 12.8 1.0
CZ2 A:TRP182 4.3 10.4 1.0
CE2 A:TRP486 4.3 10.8 1.0
CD1 A:TRP485 4.4 12.7 1.0
O A:HOH2086 4.5 7.2 1.0
O A:ASP507 4.5 11.0 1.0
CG A:ASP507 4.6 11.1 1.0
C A:ASP507 4.7 10.8 1.0
NE1 A:TRP486 4.8 11.2 1.0
CA A:ASP507 4.8 11.3 1.0
NE1 A:TRP182 4.9 10.6 1.0
CE2 A:TRP182 4.9 10.7 1.0
OD2 A:ASP507 4.9 9.6 1.0
CZ3 A:TRP486 5.0 10.7 1.0

Reference:

G.Masuyer, S.L.U.Schwager, E.D.Sturrock, R.E.Isaac, K.R.Acharya. Molecular Recognition and Regulation of Human Angiotensin-I Converting Enzyme (Ace) Activity By Natural Inhibitory Peptides. Sci.Rep. V. 2 717 2012.
ISSN: ISSN 2045-2322
PubMed: 23056909
DOI: 10.1038/SREP00717
Page generated: Sat Dec 12 10:24:10 2020

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