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Chlorine in PDB 6cz1: Crystal Structure of Atpase Domain of Human GRP78 Bound to VER155008

Enzymatic activity of Crystal Structure of Atpase Domain of Human GRP78 Bound to VER155008

All present enzymatic activity of Crystal Structure of Atpase Domain of Human GRP78 Bound to VER155008:
3.6.4.10;

Protein crystallography data

The structure of Crystal Structure of Atpase Domain of Human GRP78 Bound to VER155008, PDB code: 6cz1 was solved by T.Antoshchenko, Y.Chen, S.Hughes, H.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.60 / 1.68
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 55.280, 74.920, 86.200, 90.00, 98.52, 90.00
R / Rfree (%) 18.7 / 21.8

Other elements in 6cz1:

The structure of Crystal Structure of Atpase Domain of Human GRP78 Bound to VER155008 also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Atpase Domain of Human GRP78 Bound to VER155008 (pdb code 6cz1). 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 Atpase Domain of Human GRP78 Bound to VER155008, PDB code: 6cz1:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6cz1

Go back to Chlorine Binding Sites List in 6cz1
Chlorine binding site 1 out of 4 in the Crystal Structure of Atpase Domain of Human GRP78 Bound to VER155008


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 Atpase Domain of Human GRP78 Bound to VER155008 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:15.6
occ:0.50
 CL20 A:3FD501 0.0 15.6 0.5
C16 A:3FD501 1.7 19.8 1.0
C17 A:3FD501 2.7 21.6 1.0
C15 A:3FD501 2.7 21.0 1.0
CL21 A:3FD501 3.1 27.3 0.8
NH2 A:ARG297 3.7 20.6 1.0
CZ A:ARG297 3.7 24.7 1.0
NH1 A:ARG297 3.7 23.8 1.0
N38 A:3FD501 3.7 27.4 1.0
O A:HOH756 3.8 27.4 1.0
C18 A:3FD501 4.0 20.8 1.0
C14 A:3FD501 4.0 19.0 1.0
C37 A:3FD501 4.1 28.5 1.0
NE A:ARG297 4.3 20.0 1.0
C13 A:3FD501 4.5 16.9 1.0
C34 A:3FD501 4.9 23.1 1.0
O A:HOH791 5.0 33.2 1.0

Chlorine binding site 2 out of 4 in 6cz1

Go back to Chlorine Binding Sites List in 6cz1
Chlorine binding site 2 out of 4 in the Crystal Structure of Atpase Domain of Human GRP78 Bound to VER155008


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 Atpase Domain of Human GRP78 Bound to VER155008 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:27.3
occ:0.80
 CL21 A:3FD501 0.0 27.3 0.8
C15 A:3FD501 1.7 21.0 1.0
C14 A:3FD501 2.7 19.0 1.0
C16 A:3FD501 2.7 19.8 1.0
CL20 A:3FD501 3.1 15.6 0.5
O A:HOH783 3.5 48.4 1.0
NE A:ARG297 3.5 20.0 1.0
C35 A:3FD501 3.6 22.9 1.0
OE2 A:GLU293 3.7 20.1 1.0
OE1 A:GLU293 3.8 23.7 1.0
NH1 A:ARG297 3.8 23.8 1.0
CZ A:ARG297 3.8 24.7 1.0
C17 A:3FD501 4.0 21.6 1.0
C13 A:3FD501 4.0 16.9 1.0
CD A:GLU293 4.1 25.8 1.0
C34 A:3FD501 4.1 23.1 1.0
C37 A:3FD501 4.2 28.5 1.0
C36 A:3FD501 4.2 22.4 1.0
CD A:ARG297 4.3 16.4 1.0
C18 A:3FD501 4.5 20.8 1.0
N38 A:3FD501 4.5 27.4 1.0
NH2 A:ARG297 4.7 20.6 1.0

Chlorine binding site 3 out of 4 in 6cz1

Go back to Chlorine Binding Sites List in 6cz1
Chlorine binding site 3 out of 4 in the Crystal Structure of Atpase Domain of Human GRP78 Bound to VER155008


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 Atpase Domain of Human GRP78 Bound to VER155008 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:39.0
occ:1.00
 CL20 B:3FD501 0.0 39.0 1.0
C16 B:3FD501 1.7 31.0 1.0
C17 B:3FD501 2.7 27.6 1.0
C15 B:3FD501 2.7 28.5 1.0
CL21 B:3FD501 3.2 28.5 0.5
N38 B:3FD501 3.6 42.4 1.0
NH1 B:ARG297 3.7 27.1 1.0
NH2 B:ARG297 3.7 23.4 1.0
CZ B:ARG297 3.8 26.6 1.0
C37 B:3FD501 4.0 39.5 1.0
C18 B:3FD501 4.0 25.4 1.0
C14 B:3FD501 4.0 24.4 1.0
O B:HOH754 4.2 37.6 1.0
NE B:ARG297 4.4 21.4 1.0
C13 B:3FD501 4.5 22.9 1.0
C34 B:3FD501 4.8 35.5 1.0
O B:HOH698 4.9 25.2 1.0

Chlorine binding site 4 out of 4 in 6cz1

Go back to Chlorine Binding Sites List in 6cz1
Chlorine binding site 4 out of 4 in the Crystal Structure of Atpase Domain of Human GRP78 Bound to VER155008


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 Atpase Domain of Human GRP78 Bound to VER155008 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:28.5
occ:0.50
 CL21 B:3FD501 0.0 28.5 0.5
C15 B:3FD501 1.7 28.5 1.0
C14 B:3FD501 2.7 24.4 1.0
C16 B:3FD501 2.7 31.0 1.0
CL20 B:3FD501 3.2 39.0 1.0
NE B:ARG297 3.5 21.4 1.0
C35 B:3FD501 3.7 33.0 1.0
OE2 B:GLU293 3.7 24.0 1.0
NH1 B:ARG297 3.7 27.1 1.0
CZ B:ARG297 3.8 26.6 1.0
OE1 B:GLU293 3.8 25.9 1.0
C13 B:3FD501 4.0 22.9 1.0
C17 B:3FD501 4.0 27.6 1.0
CD B:GLU293 4.1 30.4 1.0
C34 B:3FD501 4.2 35.5 1.0
C36 B:3FD501 4.2 33.8 1.0
C37 B:3FD501 4.2 39.5 1.0
CD B:ARG297 4.3 23.2 1.0
C18 B:3FD501 4.5 25.4 1.0
NH2 B:ARG297 4.6 23.4 1.0
N38 B:3FD501 4.6 42.4 1.0

Reference:

T.Antoshchenko, Y.Chen, H.Park. Crystallographic Selection of Adenosine Analogs That Fit the Mold of the Active Site of Human GRP78 and Beyond To Be Published.
Page generated: Sat Jul 27 21:13:28 2024

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