Zinc in PDB 6fg0: Crystal Structure of R. Ruber Adh-A, Mutant Y54G, F43T, L119Y, F282W

Protein crystallography data

The structure of Crystal Structure of R. Ruber Adh-A, Mutant Y54G, F43T, L119Y, F282W, PDB code: 6fg0 was solved by D.Dobritzsch, D.Maurer, E.Hamnevik, T.R.Enugala, M.Widersten, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.50 / 1.74
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 65.706, 105.463, 108.977, 90.00, 91.40, 90.00
R / Rfree (%) 16.3 / 18.1

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of R. Ruber Adh-A, Mutant Y54G, F43T, L119Y, F282W (pdb code 6fg0). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the Crystal Structure of R. Ruber Adh-A, Mutant Y54G, F43T, L119Y, F282W, PDB code: 6fg0:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in 6fg0

Go back to Zinc Binding Sites List in 6fg0
Zinc binding site 1 out of 8 in the Crystal Structure of R. Ruber Adh-A, Mutant Y54G, F43T, L119Y, F282W


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of R. Ruber Adh-A, Mutant Y54G, F43T, L119Y, F282W within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn501

b:22.4
occ:1.00
 SG A:CYS92 2.3 24.7 1.0
SG A:CYS95 2.3 22.2 1.0
SG A:CYS98 2.3 21.6 1.0
SG A:CYS106 2.4 23.0 1.0
CB A:CYS98 3.3 21.3 1.0
CB A:CYS106 3.3 22.9 1.0
CB A:CYS95 3.4 23.5 1.0
N A:CYS92 3.4 22.8 1.0
CB A:CYS92 3.5 24.7 1.0
CA A:CYS106 3.8 23.0 1.0
N A:CYS95 3.8 23.8 1.0
CA A:CYS92 3.9 23.7 1.0
N A:GLY93 3.9 23.1 1.0
CA A:CYS95 4.2 24.0 1.0
N A:THR107 4.3 27.7 1.0
C A:CYS92 4.3 23.8 1.0
N A:CYS98 4.3 19.7 1.0
N A:ALA94 4.3 24.3 1.0
CA A:CYS98 4.4 20.1 1.0
C A:CYS106 4.4 25.3 1.0
C A:GLY91 4.5 22.1 1.0
N A:ARG108 4.6 32.3 1.0
CB A:ARG108 4.6 36.1 1.0
CA A:GLY91 4.7 21.4 1.0
C A:CYS95 4.9 23.2 1.0
CA A:GLY93 4.9 23.3 1.0
CG A:ARG108 4.9 38.5 1.0
C A:ALA94 4.9 24.6 1.0
O A:CYS95 5.0 22.4 1.0
C A:GLY93 5.0 24.3 1.0

Zinc binding site 2 out of 8 in 6fg0

Go back to Zinc Binding Sites List in 6fg0
Zinc binding site 2 out of 8 in the Crystal Structure of R. Ruber Adh-A, Mutant Y54G, F43T, L119Y, F282W


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of R. Ruber Adh-A, Mutant Y54G, F43T, L119Y, F282W within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn502

b:24.3
occ:1.00
 OD2 A:ASP153 1.9 20.0 1.0
NE2 A:HIS62 2.1 21.4 1.0
SG A:CYS38 2.3 22.2 1.0
CD2 A:HIS62 3.0 21.4 1.0
CB A:CYS38 3.1 22.3 1.0
CE1 A:HIS62 3.1 22.2 1.0
CG A:ASP153 3.1 19.6 1.0
C5N A:NAD503 3.4 19.8 1.0
OD1 A:ASP153 3.7 19.9 1.0
OG A:SER40 3.8 22.8 1.0
CB A:SER40 3.8 22.7 1.0
C6N A:NAD503 4.0 19.9 1.0
CG A:HIS62 4.1 21.6 1.0
ND1 A:HIS62 4.2 22.1 1.0
CB A:ASP153 4.2 18.8 1.0
C4N A:NAD503 4.3 19.5 1.0
NH2 A:ARG340 4.4 20.6 1.0
CA A:CYS38 4.6 22.6 1.0
N A:SER40 4.8 22.5 1.0
CA A:SER40 4.9 23.2 1.0

Zinc binding site 3 out of 8 in 6fg0

Go back to Zinc Binding Sites List in 6fg0
Zinc binding site 3 out of 8 in the Crystal Structure of R. Ruber Adh-A, Mutant Y54G, F43T, L119Y, F282W


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of R. Ruber Adh-A, Mutant Y54G, F43T, L119Y, F282W within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn501

b:22.0
occ:1.00
 SG B:CYS92 2.3 23.7 1.0
SG B:CYS98 2.3 21.2 1.0
SG B:CYS95 2.3 21.5 1.0
SG B:CYS106 2.4 22.7 1.0
CB B:CYS106 3.3 21.8 1.0
CB B:CYS98 3.3 21.0 1.0
CB B:CYS95 3.4 22.5 1.0
N B:CYS92 3.4 22.2 1.0
CB B:CYS92 3.5 24.2 1.0
CA B:CYS106 3.8 22.1 1.0
N B:CYS95 3.8 23.1 1.0
CA B:CYS92 3.9 23.1 1.0
N B:GLY93 3.9 22.3 1.0
CA B:CYS95 4.2 22.9 1.0
C B:CYS92 4.3 23.1 1.0
N B:THR107 4.3 27.1 1.0
N B:CYS98 4.3 19.6 1.0
N B:ALA94 4.4 23.6 1.0
CA B:CYS98 4.4 19.9 1.0
C B:CYS106 4.4 24.3 1.0
C B:GLY91 4.5 21.8 1.0
N B:ARG108 4.6 31.4 1.0
CB B:ARG108 4.7 33.9 1.0
CA B:GLY91 4.7 21.1 1.0
C B:CYS95 4.9 22.0 1.0
CA B:GLY93 4.9 22.7 1.0
C B:ALA94 4.9 24.0 1.0
CG B:ARG108 5.0 35.5 1.0
O B:CYS95 5.0 21.9 1.0

Zinc binding site 4 out of 8 in 6fg0

Go back to Zinc Binding Sites List in 6fg0
Zinc binding site 4 out of 8 in the Crystal Structure of R. Ruber Adh-A, Mutant Y54G, F43T, L119Y, F282W


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of R. Ruber Adh-A, Mutant Y54G, F43T, L119Y, F282W within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn502

b:24.1
occ:1.00
 OD2 B:ASP153 1.9 19.9 1.0
NE2 B:HIS62 2.1 20.7 1.0
SG B:CYS38 2.3 20.5 1.0
CD2 B:HIS62 3.0 20.6 1.0
CB B:CYS38 3.1 21.2 1.0
CE1 B:HIS62 3.1 21.3 1.0
CG B:ASP153 3.1 19.9 1.0
C5N B:NAD503 3.4 18.9 1.0
OD1 B:ASP153 3.7 20.6 1.0
OG B:SER40 3.8 21.1 1.0
CB B:SER40 3.8 21.8 1.0
C6N B:NAD503 4.0 19.3 1.0
CG B:HIS62 4.1 20.6 1.0
ND1 B:HIS62 4.2 21.2 1.0
CB B:ASP153 4.2 18.7 1.0
C4N B:NAD503 4.3 18.9 1.0
NH2 B:ARG340 4.4 18.7 1.0
CA B:CYS38 4.6 21.1 1.0
N B:SER40 4.8 21.1 1.0
CA B:SER40 5.0 22.2 1.0

Zinc binding site 5 out of 8 in 6fg0

Go back to Zinc Binding Sites List in 6fg0
Zinc binding site 5 out of 8 in the Crystal Structure of R. Ruber Adh-A, Mutant Y54G, F43T, L119Y, F282W


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of R. Ruber Adh-A, Mutant Y54G, F43T, L119Y, F282W within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn501

b:21.8
occ:1.00
 SG C:CYS95 2.3 21.8 1.0
SG C:CYS92 2.3 24.5 1.0
SG C:CYS98 2.4 22.1 1.0
SG C:CYS106 2.4 23.3 1.0
CB C:CYS106 3.3 23.9 1.0
CB C:CYS98 3.3 21.6 1.0
CB C:CYS95 3.4 21.9 1.0
N C:CYS92 3.5 24.1 1.0
CB C:CYS92 3.5 24.9 1.0
N C:CYS95 3.8 22.7 1.0
CA C:CYS106 3.8 23.8 1.0
CA C:CYS92 3.9 24.8 1.0
N C:GLY93 3.9 23.6 1.0
CA C:CYS95 4.1 22.2 1.0
N C:CYS98 4.3 19.7 1.0
N C:THR107 4.3 28.5 1.0
C C:CYS92 4.3 24.6 1.0
CA C:CYS98 4.4 20.5 1.0
N C:ALA94 4.4 23.7 1.0
C C:CYS106 4.4 26.5 1.0
C C:GLY91 4.5 24.3 1.0
N C:ARG108 4.5 33.4 1.0
CB C:ARG108 4.6 36.4 1.0
CA C:GLY91 4.7 23.5 1.0
C C:CYS95 4.8 21.2 1.0
CA C:GLY93 4.9 23.7 1.0
CG C:ARG108 4.9 38.0 1.0
C C:ALA94 4.9 23.6 1.0
O C:CYS95 5.0 20.9 1.0

Zinc binding site 6 out of 8 in 6fg0

Go back to Zinc Binding Sites List in 6fg0
Zinc binding site 6 out of 8 in the Crystal Structure of R. Ruber Adh-A, Mutant Y54G, F43T, L119Y, F282W


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of R. Ruber Adh-A, Mutant Y54G, F43T, L119Y, F282W within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn502

b:30.0
occ:1.00
 OD2 C:ASP153 1.9 27.9 1.0
NE2 C:HIS62 2.1 28.1 1.0
SG C:CYS38 2.3 28.4 1.0
CD2 C:HIS62 3.0 28.2 1.0
CB C:CYS38 3.1 28.6 1.0
CG C:ASP153 3.1 26.1 1.0
CE1 C:HIS62 3.1 29.6 1.0
C5N C:NAD503 3.4 24.8 1.0
OD1 C:ASP153 3.7 27.4 1.0
OG C:SER40 3.8 28.7 1.0
CB C:SER40 3.9 29.4 1.0
C6N C:NAD503 3.9 25.1 1.0
CG C:HIS62 4.2 28.9 1.0
ND1 C:HIS62 4.2 30.0 1.0
CB C:ASP153 4.2 25.3 1.0
C4N C:NAD503 4.2 24.6 1.0
NH2 C:ARG340 4.4 26.6 1.0
CA C:CYS38 4.6 29.8 1.0
N C:SER40 4.9 29.8 1.0
CA C:SER40 5.0 30.3 1.0

Zinc binding site 7 out of 8 in 6fg0

Go back to Zinc Binding Sites List in 6fg0
Zinc binding site 7 out of 8 in the Crystal Structure of R. Ruber Adh-A, Mutant Y54G, F43T, L119Y, F282W


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of R. Ruber Adh-A, Mutant Y54G, F43T, L119Y, F282W within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn501

b:21.8
occ:1.00
 SG D:CYS98 2.3 22.0 1.0
SG D:CYS92 2.3 24.4 1.0
SG D:CYS95 2.3 21.5 1.0
SG D:CYS106 2.4 23.5 1.0
CB D:CYS98 3.3 21.4 1.0
CB D:CYS106 3.3 23.9 1.0
CB D:CYS95 3.4 21.9 1.0
N D:CYS92 3.5 24.1 1.0
CB D:CYS92 3.5 25.2 1.0
N D:CYS95 3.8 22.8 1.0
CA D:CYS106 3.8 24.4 1.0
N D:GLY93 3.9 24.1 1.0
CA D:CYS92 3.9 25.2 1.0
CA D:CYS95 4.2 22.2 1.0
N D:CYS98 4.2 19.3 1.0
C D:CYS92 4.3 25.0 1.0
N D:THR107 4.3 30.8 1.0
CA D:CYS98 4.3 20.5 1.0
N D:ALA94 4.4 24.1 1.0
C D:CYS106 4.5 26.9 1.0
C D:GLY91 4.5 24.4 1.0
N D:ARG108 4.6 36.1 1.0
CB D:ARG108 4.7 39.5 1.0
CA D:GLY91 4.7 23.8 1.0
C D:CYS95 4.8 21.1 1.0
CA D:GLY93 4.9 24.3 1.0
C D:ALA94 4.9 23.7 1.0
CG D:ARG108 5.0 41.0 1.0
O D:CYS95 5.0 20.5 1.0

Zinc binding site 8 out of 8 in 6fg0

Go back to Zinc Binding Sites List in 6fg0
Zinc binding site 8 out of 8 in the Crystal Structure of R. Ruber Adh-A, Mutant Y54G, F43T, L119Y, F282W


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of R. Ruber Adh-A, Mutant Y54G, F43T, L119Y, F282W within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn502

b:34.8
occ:1.00
 OD2 D:ASP153 1.9 31.3 1.0
NE2 D:HIS62 2.1 34.5 1.0
SG D:CYS38 2.3 33.3 1.0
CD2 D:HIS62 3.0 34.5 1.0
CG D:ASP153 3.1 29.1 1.0
CB D:CYS38 3.1 34.1 1.0
CE1 D:HIS62 3.1 36.3 1.0
C5N D:NAD503 3.3 26.0 1.0
OD1 D:ASP153 3.6 29.9 1.0
OG D:SER40 3.8 35.4 1.0
CB D:SER40 3.8 36.5 1.0
C6N D:NAD503 3.9 26.2 1.0
CG D:HIS62 4.2 35.3 1.0
ND1 D:HIS62 4.2 36.1 1.0
C4N D:NAD503 4.2 25.9 1.0
CB D:ASP153 4.2 28.0 1.0
NH2 D:ARG340 4.5 31.2 1.0
CA D:CYS38 4.6 35.1 1.0
N D:SER40 4.8 36.3 1.0
CA D:SER40 5.0 37.3 1.0

Reference:

D.Maurer, T.R.Enugala, E.Hamnevik, P.Bauer, M.Luking, H.Hillier, S.C.L.Kamerlin, D.Dobritzsch, M.Widersten. Stereo- and Regioselectivity in Catalyzed Transformation of A 1,2-Disubstituted Vicinal Diol and the Corresponding Diketone By Wild Type and Laboratory Evolved Alcohol Dehydrogenases Acs Catalysis V. 8 7526 2018.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.8B01762
Page generated: Wed Dec 16 11:48:02 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy