Chlorine in PDB 8w0o: Gdh-105 Crystal Structure

Enzymatic activity of Gdh-105 Crystal Structure

All present enzymatic activity of Gdh-105 Crystal Structure:
1.1.1.47;

Protein crystallography data

The structure of Gdh-105 Crystal Structure, PDB code: 8w0o was solved by T.S.Peat, J.Newman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.00 / 1.66
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 63.336, 120.428, 125.775, 90, 101.89, 90
R / Rfree (%) 17.3 / 19.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Gdh-105 Crystal Structure (pdb code 8w0o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Gdh-105 Crystal Structure, PDB code: 8w0o:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 8w0o

Go back to Chlorine Binding Sites List in 8w0o
Chlorine binding site 1 out of 4 in the Gdh-105 Crystal Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Gdh-105 Crystal Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:21.1
occ:1.00
 OG H:SER255 3.0 27.0 1.0
OG A:SER255 3.0 25.8 1.0
N A:SER255 3.4 19.2 1.0
N H:SER255 3.5 20.4 1.0
CB A:SER255 3.5 23.3 1.0
CD A:PRO254 3.6 21.5 1.0
CB H:SER255 3.6 25.1 1.0
CD H:PRO254 3.6 20.5 1.0
N A:PRO254 3.7 18.7 1.0
CA A:TYR253 3.7 15.7 1.0
N H:PRO254 3.7 18.3 1.0
C A:TYR253 3.7 18.1 1.0
CA H:TYR253 3.8 14.1 1.0
C H:TYR253 3.8 15.7 1.0
CB A:TYR253 4.1 16.0 1.0
CA A:SER255 4.1 20.4 1.0
CG A:PRO254 4.1 23.4 1.0
CA H:SER255 4.1 21.4 1.0
CB H:TYR253 4.1 14.3 1.0
CD2 H:TYR253 4.2 16.3 1.0
CG H:PRO254 4.2 25.1 1.0
CD2 A:TYR253 4.2 15.0 1.0
O A:TYR253 4.4 17.4 1.0
C A:PRO254 4.4 20.7 1.0
O H:TYR253 4.5 16.9 1.0
C H:PRO254 4.5 22.5 1.0
CA A:PRO254 4.5 22.0 1.0
CG A:TYR253 4.6 14.2 1.0
CG H:TYR253 4.6 14.9 1.0
CA H:PRO254 4.6 22.9 1.0
CB A:PRO254 5.0 23.9 1.0
CD1 A:PHE256 5.0 19.5 1.0

Chlorine binding site 2 out of 4 in 8w0o

Go back to Chlorine Binding Sites List in 8w0o
Chlorine binding site 2 out of 4 in the Gdh-105 Crystal Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Gdh-105 Crystal Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:21.9
occ:1.00
 OG C:SER255 3.0 30.8 1.0
OG B:SER255 3.0 29.4 1.0
N B:SER255 3.4 22.8 1.0
N C:SER255 3.5 24.5 1.0
CB C:SER255 3.5 27.5 1.0
CB B:SER255 3.6 25.6 1.0
CD B:PRO254 3.6 20.2 1.0
CD C:PRO254 3.6 23.9 1.0
N B:PRO254 3.7 21.1 1.0
N C:PRO254 3.7 23.9 1.0
CA B:TYR253 3.8 17.3 1.0
CA C:TYR253 3.8 16.0 1.0
C B:TYR253 3.8 20.4 1.0
C C:TYR253 3.8 19.7 1.0
CB B:TYR253 4.1 16.9 1.0
CA B:SER255 4.1 24.0 1.0
CA C:SER255 4.1 23.9 1.0
CB C:TYR253 4.1 16.1 1.0
CG C:PRO254 4.1 26.7 1.0
CG B:PRO254 4.1 23.9 1.0
CD2 C:TYR253 4.2 14.0 1.0
CD2 B:TYR253 4.2 15.1 1.0
O B:TYR253 4.4 23.4 1.0
O C:TYR253 4.5 19.4 1.0
C B:PRO254 4.5 25.0 1.0
C C:PRO254 4.5 23.7 1.0
CA B:PRO254 4.6 23.4 1.0
CG B:TYR253 4.6 16.0 1.0
CG C:TYR253 4.6 15.0 1.0
CA C:PRO254 4.6 24.5 1.0
CD1 B:PHE256 5.0 21.9 1.0

Chlorine binding site 3 out of 4 in 8w0o

Go back to Chlorine Binding Sites List in 8w0o
Chlorine binding site 3 out of 4 in the Gdh-105 Crystal Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Gdh-105 Crystal Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:22.7
occ:1.00
 OG D:SER255 3.0 28.2 1.0
OG F:SER255 3.1 23.1 1.0
N D:SER255 3.4 22.3 1.0
N F:SER255 3.5 19.9 1.0
CB D:SER255 3.5 24.2 1.0
CD F:PRO254 3.6 21.5 1.0
CB F:SER255 3.6 21.7 1.0
CD D:PRO254 3.7 26.8 1.0
N F:PRO254 3.7 19.2 1.0
CA F:TYR253 3.7 16.2 1.0
N D:PRO254 3.7 25.0 1.0
CA D:TYR253 3.8 16.2 1.0
C F:TYR253 3.8 17.4 1.0
C D:TYR253 3.8 19.6 1.0
CB D:TYR253 4.0 15.0 1.0
CA D:SER255 4.1 23.2 1.0
CD2 D:TYR253 4.1 13.4 1.0
CB F:TYR253 4.1 14.7 1.0
CG F:PRO254 4.1 22.6 1.0
CA F:SER255 4.2 20.2 1.0
CD2 F:TYR253 4.2 14.5 1.0
CG D:PRO254 4.2 30.0 1.0
O D:TYR253 4.4 22.3 1.0
C D:PRO254 4.4 27.0 1.0
O F:TYR253 4.4 18.2 1.0
CG D:TYR253 4.5 14.3 1.0
C F:PRO254 4.5 21.0 1.0
CG F:TYR253 4.6 14.1 1.0
CA D:PRO254 4.6 29.4 1.0
CA F:PRO254 4.6 21.7 1.0
N F:TYR253 5.0 15.0 1.0
CB D:PRO254 5.0 28.2 1.0

Chlorine binding site 4 out of 4 in 8w0o

Go back to Chlorine Binding Sites List in 8w0o
Chlorine binding site 4 out of 4 in the Gdh-105 Crystal Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Gdh-105 Crystal Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl302

b:22.7
occ:1.00
 OG E:SER255 3.0 26.4 1.0
OG G:SER255 3.1 25.6 1.0
N E:SER255 3.5 22.3 1.0
N G:SER255 3.5 22.1 1.0
CB E:SER255 3.5 25.3 1.0
CB G:SER255 3.6 21.4 1.0
CD G:PRO254 3.6 24.7 1.0
CD E:PRO254 3.7 24.3 1.0
N G:PRO254 3.7 22.4 1.0
CA G:TYR253 3.7 17.1 1.0
CA E:TYR253 3.7 17.3 1.0
N E:PRO254 3.7 22.2 1.0
C G:TYR253 3.8 18.5 1.0
C E:TYR253 3.8 18.1 1.0
CB E:TYR253 4.1 17.4 1.0
CB G:TYR253 4.1 15.9 1.0
CD2 E:TYR253 4.1 16.1 1.0
CA E:SER255 4.1 23.9 1.0
CA G:SER255 4.1 22.8 1.0
CG G:PRO254 4.1 24.9 1.0
CD2 G:TYR253 4.2 17.5 1.0
CG E:PRO254 4.2 26.1 1.0
O G:TYR253 4.4 20.3 1.0
O E:TYR253 4.4 21.6 1.0
C G:PRO254 4.5 20.4 1.0
CG E:TYR253 4.5 17.0 1.0
C E:PRO254 4.5 23.9 1.0
CG G:TYR253 4.5 17.3 1.0
CA G:PRO254 4.6 22.5 1.0
CA E:PRO254 4.6 27.1 1.0
N G:TYR253 5.0 16.4 1.0

Reference:

X.Yi, F.Kleinbeck, C.Ching, L.Boghospor, S.Gomes, O.Alvizo, T.Allmendinger, J.Fell, N.Subramanian, M.Li, R.Garcia, J.Riggins, D.Entwistle, Y.Richter, D.Gschwend, L.Lauener, T.S.Peat, H.Lebhar, T.Schlama, T.Ruch. Enhancing the Imine Reductase Activity of A Promiscuous Glucose Dehydrogenase For Scalable Manufacturing of A Chiral Neprilysin Inhibitor Precursor Acs Catalysis V. 14 7087 2024.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.3C05615
Page generated: Tue Jul 30 13:46:18 2024

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