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:

Zinc (Zn) 4 atoms
Chlorine (Cl) 4 atoms

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

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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

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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

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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: Sat Dec 12 07:59:46 2020

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