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Zinc in PDB 1vj0: Crystal Structure of Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution

Enzymatic activity of Crystal Structure of Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution

All present enzymatic activity of Crystal Structure of Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution:
1.1.1.1;

Protein crystallography data

The structure of Crystal Structure of Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution, PDB code: 1vj0 was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 80.53 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 92.880, 104.919, 161.617, 90.00, 90.00, 90.00
R / Rfree (%) 14.5 / 19.4

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution (pdb code 1vj0). 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 Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution, PDB code: 1vj0:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in 1vj0

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Zinc binding site 1 out of 8 in the Crystal Structure of Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution


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 Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn400

b:22.7
occ:1.00
 SG A:CYS106 2.3 28.2 1.0
SG A:CYS103 2.4 25.4 1.0
SG A:CYS100 2.4 27.4 1.0
SG A:CYS115 2.4 28.8 1.0
CB A:CYS115 3.2 30.1 1.0
CB A:CYS103 3.4 26.5 1.0
CB A:CYS106 3.5 27.4 1.0
CB A:CYS100 3.6 29.6 1.0
N A:CYS100 3.6 30.2 1.0
N A:CYS103 3.8 26.8 1.0
CA A:CYS115 3.9 28.3 1.0
N A:GLY101 4.0 29.6 1.0
CA A:CYS100 4.0 30.2 1.0
N A:CYS106 4.2 26.0 1.0
CA A:CYS103 4.2 26.1 1.0
C A:CYS100 4.4 30.3 1.0
CA A:CYS106 4.4 26.0 1.0
N A:GLU102 4.4 30.0 1.0
CD A:PRO116 4.5 29.8 1.0
ND2 A:ASN117 4.5 38.2 1.0
CB A:THR99 4.6 31.0 1.0
C A:THR99 4.7 30.5 1.0
C A:CYS115 4.8 28.9 1.0
C A:CYS103 4.9 25.4 1.0
CA A:GLY101 4.9 29.9 1.0
N A:PRO116 4.9 29.8 1.0
C A:GLU102 5.0 28.1 1.0
CA A:THR99 5.0 30.1 1.0

Zinc binding site 2 out of 8 in 1vj0

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Zinc binding site 2 out of 8 in the Crystal Structure of Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution


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 Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:35.8
occ:0.34
 OE2 A:GLU66 2.3 41.6 1.0
NE2 A:HIS65 2.3 30.8 1.0
SG A:CYS166 2.3 41.1 0.7
SG A:CYS43 2.5 45.3 1.0
CB A:CYS166 2.8 37.8 0.3
CB A:CYS166 2.8 37.8 0.7
CB A:CYS43 2.9 38.6 1.0
SG A:CYS166 3.0 39.1 0.3
CD2 A:HIS65 3.2 29.6 1.0
CD A:GLU66 3.3 34.0 1.0
CE1 A:HIS65 3.3 29.5 1.0
CG A:GLU66 3.7 35.7 1.0
O A:HOH2182 4.1 59.8 1.0
OG A:SER45 4.3 34.3 1.0
CA A:CYS43 4.3 37.6 1.0
CA A:CYS166 4.3 38.1 1.0
CG A:HIS65 4.3 28.2 1.0
OE1 A:GLU66 4.3 39.2 1.0
ND1 A:HIS65 4.3 27.6 1.0
O A:HOH2180 4.6 40.1 1.0
O A:HOH2179 4.7 38.8 1.0
O A:HOH2020 4.7 20.5 1.0
N A:SER167 4.9 32.9 1.0
C A:CYS166 5.0 36.8 1.0

Zinc binding site 3 out of 8 in 1vj0

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Zinc binding site 3 out of 8 in the Crystal Structure of Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution


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 Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn400

b:22.5
occ:1.00
 SG B:CYS103 2.3 26.4 1.0
SG B:CYS106 2.3 28.8 1.0
SG B:CYS100 2.4 28.8 1.0
SG B:CYS115 2.4 27.7 1.0
CB B:CYS115 3.2 26.6 1.0
CB B:CYS103 3.4 28.0 1.0
CB B:CYS106 3.5 27.3 1.0
CB B:CYS100 3.6 30.1 1.0
N B:CYS100 3.7 29.9 1.0
N B:CYS103 3.8 28.7 1.0
N B:GLY101 3.9 30.8 1.0
CA B:CYS115 4.0 27.8 1.0
CA B:CYS100 4.0 30.3 1.0
CA B:CYS103 4.2 27.7 1.0
N B:CYS106 4.2 24.9 1.0
C B:CYS100 4.3 30.8 1.0
N B:GLU102 4.4 32.6 1.0
CA B:CYS106 4.5 26.2 1.0
CD B:PRO116 4.5 28.1 1.0
ND2 B:ASN117 4.5 33.2 1.0
CB B:THR99 4.5 29.3 1.0
C B:THR99 4.7 30.3 1.0
C B:CYS103 4.8 25.8 1.0
CA B:GLY101 4.8 31.9 1.0
C B:CYS115 4.8 27.8 1.0
N B:PRO116 5.0 28.0 1.0
C B:GLU102 5.0 30.0 1.0

Zinc binding site 4 out of 8 in 1vj0

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Zinc binding site 4 out of 8 in the Crystal Structure of Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution


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 Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn401

b:26.3
occ:0.28
 OE2 B:GLU66 2.1 42.3 1.0
NE2 B:HIS65 2.3 29.6 1.0
SG B:CYS166 2.3 39.0 0.7
SG B:CYS43 2.4 43.0 1.0
CB B:CYS43 2.8 35.2 1.0
CB B:CYS166 2.9 37.6 0.3
CB B:CYS166 3.0 38.1 0.7
CD2 B:HIS65 3.2 27.8 1.0
SG B:CYS166 3.2 38.2 0.3
CD B:GLU66 3.2 36.0 1.0
CE1 B:HIS65 3.2 29.9 1.0
CG B:GLU66 3.8 36.1 1.0
OG B:SER45 4.0 33.0 1.0
OE1 B:GLU66 4.1 36.0 1.0
CA B:CYS43 4.2 35.6 1.0
O B:HOH2214 4.3 46.6 1.0
ND1 B:HIS65 4.3 29.0 1.0
CG B:HIS65 4.3 28.8 1.0
CA B:CYS166 4.4 36.9 1.0
O B:HOH2009 4.7 20.5 1.0
O B:HOH2269 4.8 32.7 1.0
N B:SER167 4.9 32.8 1.0

Zinc binding site 5 out of 8 in 1vj0

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Zinc binding site 5 out of 8 in the Crystal Structure of Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution


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 Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn400

b:22.1
occ:1.00
 SG C:CYS103 2.3 26.6 1.0
SG C:CYS115 2.3 27.1 1.0
SG C:CYS106 2.4 26.3 1.0
SG C:CYS100 2.4 27.4 1.0
CB C:CYS115 3.3 26.6 1.0
CB C:CYS103 3.4 26.0 1.0
CB C:CYS106 3.5 26.8 1.0
CB C:CYS100 3.6 30.2 1.0
N C:CYS100 3.6 30.1 1.0
N C:CYS103 3.9 27.2 1.0
CA C:CYS115 4.0 26.4 1.0
CA C:CYS100 4.0 29.6 1.0
N C:GLY101 4.0 28.2 1.0
CA C:CYS103 4.2 26.8 1.0
N C:CYS106 4.3 25.7 1.0
C C:CYS100 4.3 29.8 1.0
CA C:CYS106 4.4 24.5 1.0
N C:GLU102 4.5 29.7 1.0
CD C:PRO116 4.5 27.6 1.0
ND2 C:ASN117 4.5 29.5 1.0
CB C:THR99 4.5 30.5 1.0
C C:THR99 4.7 30.2 1.0
C C:CYS115 4.8 25.7 1.0
C C:CYS103 4.9 25.1 1.0
N C:PRO116 4.9 26.8 1.0
CA C:GLY101 4.9 29.6 1.0

Zinc binding site 6 out of 8 in 1vj0

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Zinc binding site 6 out of 8 in the Crystal Structure of Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution


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 Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn401

b:33.5
occ:0.41
 NE2 C:HIS65 2.2 28.9 1.0
SG C:CYS43 2.4 40.0 1.0
SG C:CYS166 2.4 40.2 0.7
OE2 C:GLU66 2.5 42.6 1.0
CB C:CYS43 2.9 35.0 1.0
CB C:CYS166 2.9 37.6 0.3
CB C:CYS166 3.0 38.0 0.7
CE1 C:HIS65 3.2 32.8 1.0
CD2 C:HIS65 3.2 31.1 1.0
SG C:CYS166 3.2 39.5 0.3
CD C:GLU66 3.5 32.0 1.0
OG C:SER45 3.8 36.7 1.0
CG C:GLU66 4.0 35.1 1.0
ND1 C:HIS65 4.3 29.7 1.0
CG C:HIS65 4.3 28.7 1.0
CA C:CYS43 4.4 34.0 1.0
CA C:CYS166 4.4 37.3 1.0
OE1 C:GLU66 4.5 39.4 1.0
O C:HOH2174 4.7 33.8 1.0
O C:HOH2022 4.8 19.6 1.0
N C:SER167 5.0 34.5 1.0
CB C:SER45 5.0 33.3 1.0

Zinc binding site 7 out of 8 in 1vj0

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Zinc binding site 7 out of 8 in the Crystal Structure of Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution


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 Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn400

b:23.5
occ:1.00
 SG D:CYS103 2.3 26.4 1.0
SG D:CYS115 2.3 29.3 1.0
SG D:CYS100 2.4 29.7 1.0
SG D:CYS106 2.4 29.7 1.0
CB D:CYS115 3.3 28.7 1.0
CB D:CYS106 3.5 28.2 1.0
CB D:CYS103 3.5 27.1 1.0
N D:CYS100 3.5 30.8 1.0
CB D:CYS100 3.6 29.8 1.0
N D:CYS103 3.9 28.2 1.0
N D:GLY101 4.0 29.9 1.0
CA D:CYS115 4.0 28.3 1.0
CA D:CYS100 4.0 30.1 1.0
CA D:CYS103 4.2 27.3 1.0
N D:CYS106 4.3 27.9 1.0
ND2 D:ASN117 4.3 36.0 1.0
C D:CYS100 4.4 30.9 1.0
N D:GLU102 4.4 29.9 1.0
CA D:CYS106 4.4 28.5 1.0
CB D:THR99 4.5 29.6 1.0
CD D:PRO116 4.6 28.8 1.0
C D:THR99 4.6 30.3 1.0
C D:CYS115 4.8 28.3 1.0
C D:CYS103 4.9 26.8 1.0
CA D:GLY101 4.9 30.6 1.0
CA D:THR99 5.0 29.7 1.0
N D:PRO116 5.0 28.7 1.0
C D:GLU102 5.0 28.9 1.0

Zinc binding site 8 out of 8 in 1vj0

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Zinc binding site 8 out of 8 in the Crystal Structure of Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution


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 Alcohol Dehydrogenase (TM0436) From Thermotoga Maritima at 2.00 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn401

b:34.9
occ:0.33
 OE2 D:GLU66 2.2 40.9 1.0
NE2 D:HIS65 2.2 28.6 1.0
SG D:CYS43 2.3 41.5 1.0
SG D:CYS166 2.4 40.1 0.7
CB D:CYS166 2.8 37.1 0.3
CB D:CYS166 2.8 37.3 0.7
CD2 D:HIS65 3.0 31.8 1.0
SG D:CYS166 3.1 38.8 0.3
CB D:CYS43 3.2 37.1 1.0
CD D:GLU66 3.3 34.9 1.0
CE1 D:HIS65 3.3 30.0 1.0
CG D:GLU66 3.8 35.7 1.0
OG D:SER45 4.0 37.2 1.0
CG D:HIS65 4.2 30.3 1.0
OE1 D:GLU66 4.2 36.4 1.0
CA D:CYS166 4.3 37.0 1.0
ND1 D:HIS65 4.3 28.7 1.0
CA D:CYS43 4.4 36.5 1.0
O D:HOH2032 4.7 21.7 1.0
N D:SER167 4.8 32.9 1.0
O D:HOH2266 4.9 25.9 0.5
C D:CYS166 4.9 35.6 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Wed Oct 16 19:50:04 2024

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