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

Last articles

Mg in 4Y52
Mg in 4Y30
Mg in 4Y2V
Mg in 4Y2X
Mg in 4Y2Y
Mg in 4Y2U
Mg in 4Y2T
Mg in 4Y2Q
Mg in 4Y2R
Mg in 4Y2S
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy