Atomistry » Zinc » PDB 1rae-1rpj » 1rjw
Atomistry »
  Zinc »
    PDB 1rae-1rpj »
      1rjw »

Zinc in PDB 1rjw: Crystal Structure of Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R

Enzymatic activity of Crystal Structure of Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R

All present enzymatic activity of Crystal Structure of Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R:
1.1.1.1;

Protein crystallography data

The structure of Crystal Structure of Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R, PDB code: 1rjw was solved by C.Ceccarelli, B.J.Bahnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.44 / 2.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 68.322, 138.222, 158.680, 90.00, 90.00, 90.00
R / Rfree (%) 21.4 / 25.2

Other elements in 1rjw:

The structure of Crystal Structure of Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R also contains other interesting chemical elements:

Fluorine (F) 39 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R (pdb code 1rjw). 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 Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R, PDB code: 1rjw:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in 1rjw

Go back to Zinc Binding Sites List in 1rjw
Zinc binding site 1 out of 8 in the Crystal Structure of Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R


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 Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:29.8
occ:1.00
SG A:CYS92 2.3 27.1 1.0
SG A:CYS95 2.3 26.6 1.0
SG A:CYS106 2.3 31.4 1.0
SG A:CYS98 2.4 36.0 1.0
CB A:CYS106 3.2 32.8 1.0
CB A:CYS95 3.4 28.9 1.0
CB A:CYS98 3.5 35.3 1.0
CB A:CYS92 3.5 29.7 1.0
N A:CYS92 3.6 29.1 1.0
N A:GLY93 3.7 32.4 1.0
N A:CYS95 3.8 31.9 1.0
CA A:CYS92 3.9 29.8 1.0
O A:HOH1032 4.0 25.3 1.0
CA A:CYS106 4.1 31.6 1.0
CA A:CYS95 4.2 29.7 1.0
C A:CYS92 4.2 31.6 1.0
N A:HIS94 4.3 34.5 1.0
N A:CYS98 4.4 34.6 1.0
CA A:CYS98 4.5 36.4 1.0
ND1 A:HIS108 4.6 43.3 1.0
CB A:ALA91 4.6 26.4 1.0
CA A:GLY93 4.7 33.5 1.0
C A:ALA91 4.7 29.5 1.0
C A:CYS95 4.9 29.7 1.0
C A:CYS106 4.9 32.9 1.0
O A:CYS95 4.9 29.0 1.0
C A:HIS94 5.0 32.9 1.0
C A:GLY93 5.0 34.9 1.0

Zinc binding site 2 out of 8 in 1rjw

Go back to Zinc Binding Sites List in 1rjw
Zinc binding site 2 out of 8 in the Crystal Structure of Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R


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 Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn402

b:56.2
occ:1.00
NE2 A:HIS61 2.1 30.1 1.0
O A:ETF501 2.2 75.7 1.0
SG A:CYS38 2.2 39.7 1.0
SG A:CYS148 2.4 35.0 1.0
C2 A:ETF501 3.0 76.0 1.0
CE1 A:HIS61 3.0 30.3 1.0
CD2 A:HIS61 3.1 27.6 1.0
CB A:CYS38 3.3 35.8 1.0
OG1 A:THR40 3.5 35.1 1.0
CB A:CYS148 3.6 28.7 1.0
CB A:THR40 3.9 34.5 1.0
ND1 A:HIS61 4.1 30.4 1.0
CG A:HIS61 4.2 29.9 1.0
C1 A:ETF501 4.4 77.1 1.0
CA A:CYS38 4.7 36.3 1.0
F2 A:ETF501 4.7 77.9 1.0
CG2 A:THR40 4.7 32.4 1.0
N A:THR40 4.9 36.5 1.0

Zinc binding site 3 out of 8 in 1rjw

Go back to Zinc Binding Sites List in 1rjw
Zinc binding site 3 out of 8 in the Crystal Structure of Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R


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 Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn401

b:22.3
occ:1.00
SG B:CYS92 2.2 27.9 1.0
SG B:CYS98 2.2 27.9 1.0
SG B:CYS106 2.4 27.3 1.0
SG B:CYS95 2.4 23.1 1.0
CB B:CYS106 3.1 27.8 1.0
CB B:CYS95 3.3 25.9 1.0
CB B:CYS98 3.4 32.9 1.0
CB B:CYS92 3.4 29.9 1.0
N B:CYS92 3.6 28.0 1.0
N B:GLY93 3.7 31.4 1.0
N B:CYS95 3.8 28.8 1.0
CA B:CYS92 3.9 29.4 1.0
CA B:CYS106 4.0 29.5 1.0
CA B:CYS95 4.2 27.5 1.0
N B:CYS98 4.2 31.7 1.0
N B:HIS94 4.2 31.6 1.0
C B:CYS92 4.2 30.7 1.0
CA B:CYS98 4.4 33.7 1.0
CA B:GLY93 4.6 31.4 1.0
CB B:ALA91 4.6 23.6 1.0
C B:ALA91 4.7 26.7 1.0
C B:CYS95 4.8 28.5 1.0
C B:CYS106 4.9 30.3 1.0
O B:CYS95 4.9 26.9 1.0
C B:GLY93 4.9 32.3 1.0
C B:HIS94 5.0 31.5 1.0

Zinc binding site 4 out of 8 in 1rjw

Go back to Zinc Binding Sites List in 1rjw
Zinc binding site 4 out of 8 in the Crystal Structure of Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R


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 Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn402

b:29.4
occ:1.00
NE2 B:HIS61 2.0 23.3 1.0
O B:ETF501 2.2 53.8 1.0
SG B:CYS38 2.3 29.2 1.0
SG B:CYS148 2.4 28.0 1.0
CE1 B:HIS61 2.9 21.3 1.0
CD2 B:HIS61 3.1 21.2 1.0
C2 B:ETF501 3.2 56.9 1.0
CB B:CYS38 3.3 27.2 1.0
CB B:CYS148 3.4 27.7 1.0
OG1 B:THR40 3.9 30.5 1.0
ND1 B:HIS61 4.0 20.3 1.0
CB B:THR40 4.1 30.8 1.0
CG B:HIS61 4.2 23.6 1.0
C1 B:ETF501 4.6 58.6 1.0
F2 B:ETF501 4.7 61.2 1.0
CA B:CYS38 4.7 27.8 1.0
CA B:CYS148 4.8 26.1 1.0
CG2 B:THR40 5.0 29.5 1.0

Zinc binding site 5 out of 8 in 1rjw

Go back to Zinc Binding Sites List in 1rjw
Zinc binding site 5 out of 8 in the Crystal Structure of Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R


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 Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn401

b:25.6
occ:1.00
SG C:CYS98 2.2 24.9 1.0
SG C:CYS92 2.2 30.4 1.0
SG C:CYS95 2.4 26.5 1.0
SG C:CYS106 2.4 25.5 1.0
CB C:CYS106 3.2 26.3 1.0
CB C:CYS98 3.4 32.6 1.0
CB C:CYS95 3.4 28.4 1.0
CB C:CYS92 3.4 29.4 1.0
N C:CYS92 3.5 29.1 1.0
N C:GLY93 3.6 32.8 1.0
N C:CYS95 3.8 30.9 1.0
CA C:CYS92 3.8 31.1 1.0
O C:HOH1011 4.1 20.7 1.0
CA C:CYS106 4.1 29.3 1.0
C C:CYS92 4.2 32.3 1.0
CA C:CYS95 4.2 30.5 1.0
N C:CYS98 4.3 33.3 1.0
N C:HIS94 4.3 34.5 1.0
CA C:CYS98 4.4 33.3 1.0
CB C:ALA91 4.6 25.3 1.0
C C:ALA91 4.6 29.7 1.0
CA C:GLY93 4.6 33.3 1.0
C C:CYS95 4.8 30.6 1.0
O C:CYS95 4.8 30.5 1.0
C C:HIS94 5.0 32.9 1.0
C C:GLY93 5.0 35.4 1.0
C C:CYS106 5.0 30.8 1.0

Zinc binding site 6 out of 8 in 1rjw

Go back to Zinc Binding Sites List in 1rjw
Zinc binding site 6 out of 8 in the Crystal Structure of Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R


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 Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn402

b:57.0
occ:1.00
NE2 C:HIS61 2.0 33.6 1.0
O C:ETF501 2.1 62.4 1.0
SG C:CYS148 2.1 40.1 1.0
SG C:CYS38 2.5 38.7 1.0
CD2 C:HIS61 2.9 29.9 1.0
CE1 C:HIS61 3.0 29.6 1.0
C2 C:ETF501 3.3 64.6 1.0
CB C:CYS38 3.4 31.6 1.0
CB C:CYS148 3.5 29.9 1.0
ND1 C:HIS61 4.0 29.7 1.0
CG C:HIS61 4.0 29.4 1.0
OG1 C:THR40 4.0 32.4 1.0
CB C:THR40 4.2 32.5 1.0
C1 C:ETF501 4.5 65.7 1.0
F2 C:ETF501 4.6 67.3 1.0
CA C:CYS148 4.7 29.0 1.0
CA C:CYS38 4.9 32.7 1.0

Zinc binding site 7 out of 8 in 1rjw

Go back to Zinc Binding Sites List in 1rjw
Zinc binding site 7 out of 8 in the Crystal Structure of Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R


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 Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn401

b:21.2
occ:1.00
SG D:CYS95 2.2 24.5 1.0
SG D:CYS98 2.3 30.9 1.0
SG D:CYS106 2.3 24.6 1.0
SG D:CYS92 2.3 25.7 1.0
CB D:CYS106 3.2 22.5 1.0
CB D:CYS98 3.4 33.0 1.0
CB D:CYS95 3.4 27.8 1.0
CB D:CYS92 3.5 26.6 1.0
N D:CYS92 3.6 29.5 1.0
N D:GLY93 3.6 30.9 1.0
N D:CYS95 3.8 29.5 1.0
CA D:CYS92 3.9 28.6 1.0
O D:HOH1009 3.9 20.3 1.0
N D:HIS94 4.1 31.8 1.0
CA D:CYS106 4.1 25.9 1.0
C D:CYS92 4.2 31.0 1.0
CA D:CYS95 4.2 27.9 1.0
N D:CYS98 4.3 31.9 1.0
CA D:CYS98 4.4 33.8 1.0
CB D:ALA91 4.5 25.3 1.0
CA D:GLY93 4.5 31.1 1.0
C D:ALA91 4.6 28.8 1.0
ND1 D:HIS108 4.8 35.9 1.0
C D:GLY93 4.8 32.6 1.0
C D:HIS94 4.9 31.4 1.0
C D:CYS95 4.9 28.1 1.0
CA D:ALA91 5.0 26.7 1.0
O D:CYS95 5.0 27.3 1.0

Zinc binding site 8 out of 8 in 1rjw

Go back to Zinc Binding Sites List in 1rjw
Zinc binding site 8 out of 8 in the Crystal Structure of Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R


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 Nad(+)-Dependent Alcohol Dehydrogenase From Bacillus Stearothermophilus Strain Lld-R within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn402

b:38.2
occ:1.00
O D:ETF501 2.0 55.2 1.0
NE2 D:HIS61 2.0 22.9 1.0
SG D:CYS148 2.2 34.2 1.0
SG D:CYS38 2.3 33.6 1.0
CD2 D:HIS61 3.0 21.7 1.0
CE1 D:HIS61 3.0 23.7 1.0
C2 D:ETF501 3.2 57.0 1.0
CB D:CYS38 3.3 31.7 1.0
CB D:CYS148 3.4 29.9 1.0
OG1 D:THR40 3.9 32.1 1.0
ND1 D:HIS61 4.1 21.5 1.0
CB D:THR40 4.1 32.4 1.0
CG D:HIS61 4.1 24.0 1.0
C1 D:ETF501 4.4 58.0 1.0
F2 D:ETF501 4.4 57.4 1.0
CA D:CYS38 4.8 31.6 1.0
CA D:CYS148 4.8 28.1 1.0
CG2 D:THR40 5.0 33.5 1.0

Reference:

C.Ceccarelli, Z.X.Liang, M.Strickler, G.Prehna, B.M.Goldstein, J.P.Klinman, B.J.Bahnson. Crystal Structure and Amide H/D Exchange of Binary Complexes of Alcohol Dehydrogenase From Bacillus Stearothermophilus: Insight Into Thermostability and Cofactor Binding Biochemistry V. 43 5266 2004.
ISSN: ISSN 0006-2960
PubMed: 15122892
DOI: 10.1021/BI049736P
Page generated: Mon Jan 25 16:12:44 2021

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