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Zinc in PDB 1htb: Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C

Enzymatic activity of Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C

All present enzymatic activity of Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C:
1.1.1.1;

Protein crystallography data

The structure of Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C, PDB code: 1htb was solved by T.D.Hurley, G.J.Davis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.40
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 54.030, 44.430, 92.740, 92.71, 103.17, 69.15
R / Rfree (%) 17.5 / 24.3

Other elements in 1htb:

The structure of Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C also contains other interesting chemical elements:

Iodine (I) 2 atoms
Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C (pdb code 1htb). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C, PDB code: 1htb:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 1htb

Go back to Zinc Binding Sites List in 1htb
Zinc binding site 1 out of 4 in the Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn375

b:24.8
occ:1.00
 SG A:CYS111 2.2 17.2 1.0
SG A:CYS103 2.3 18.5 1.0
SG A:CYS100 2.3 25.8 1.0
SG A:CYS97 2.4 22.1 1.0
CB A:CYS103 3.3 16.0 1.0
CB A:CYS111 3.3 19.2 1.0
CB A:CYS97 3.4 21.1 1.0
CB A:CYS100 3.4 22.1 1.0
N A:CYS97 3.6 23.4 1.0
CA A:CYS97 3.9 23.5 1.0
N A:GLY98 3.9 24.4 1.0
N A:CYS100 3.9 23.9 1.0
CA A:CYS111 3.9 19.8 1.0
N A:LEU112 4.0 17.1 1.0
CA A:CYS100 4.2 23.2 1.0
N A:CYS103 4.2 22.1 1.0
C A:CYS97 4.3 25.3 1.0
CA A:CYS103 4.3 22.1 1.0
C A:CYS111 4.5 18.9 1.0
C A:GLN96 4.5 23.3 1.0
N A:LYS99 4.5 26.4 1.0
CA A:GLN96 4.8 19.0 1.0
C A:CYS100 4.9 23.6 1.0
CA A:GLY98 4.9 23.3 1.0
O A:CYS100 4.9 23.8 1.0
CG A:LYS113 4.9 15.5 1.0
NZ A:LYS113 4.9 36.7 1.0
N A:LYS113 5.0 18.0 1.0

Zinc binding site 2 out of 4 in 1htb

Go back to Zinc Binding Sites List in 1htb
Zinc binding site 2 out of 4 in the Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn376

b:16.5
occ:1.00
 NE2 A:HIS67 2.1 12.7 1.0
SG A:CYS174 2.2 18.1 1.0
SG A:CYS46 2.3 16.5 1.0
N1 A:PYZ378 2.3 17.8 1.0
C5 A:PYZ378 3.0 18.0 1.0
CD2 A:HIS67 3.0 11.8 1.0
C5N A:NAD377 3.1 11.6 1.0
CE1 A:HIS67 3.2 15.8 1.0
CB A:CYS46 3.2 20.8 1.0
CB A:CYS174 3.4 21.0 1.0
N2 A:PYZ378 3.4 15.2 1.0
C4N A:NAD377 3.9 15.6 1.0
OG1 A:THR48 4.0 5.1 1.0
C6N A:NAD377 4.0 15.4 1.0
C4 A:PYZ378 4.1 20.1 1.0
CG A:HIS67 4.2 14.8 1.0
ND1 A:HIS67 4.3 16.2 1.0
CB A:THR48 4.3 6.5 1.0
CE2 A:PHE93 4.4 9.8 1.0
C3 A:PYZ378 4.4 18.9 1.0
CA A:CYS46 4.7 20.7 1.0
CZ A:PHE93 4.7 12.3 1.0
CA A:CYS174 4.7 18.9 1.0
CD2 A:PHE93 4.8 12.8 1.0
N A:GLY175 5.0 14.3 1.0

Zinc binding site 3 out of 4 in 1htb

Go back to Zinc Binding Sites List in 1htb
Zinc binding site 3 out of 4 in the Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn375

b:28.8
occ:1.00
 SG B:CYS100 2.2 30.9 1.0
SG B:CYS103 2.2 24.6 1.0
SG B:CYS97 2.2 32.2 1.0
SG B:CYS111 2.4 30.8 1.0
CB B:CYS100 3.2 30.3 1.0
CB B:CYS103 3.3 28.9 1.0
CB B:CYS97 3.3 28.6 1.0
CB B:CYS111 3.4 25.1 1.0
N B:CYS97 3.5 27.1 1.0
N B:GLY98 3.8 28.9 1.0
CA B:CYS97 3.8 28.3 1.0
CA B:CYS111 3.8 22.2 1.0
N B:CYS100 3.8 28.5 1.0
CA B:CYS100 4.1 27.6 1.0
N B:LEU112 4.1 26.1 1.0
C B:CYS97 4.2 29.1 1.0
N B:CYS103 4.2 29.5 1.0
CA B:CYS103 4.3 30.8 1.0
C B:CYS111 4.4 24.3 1.0
N B:LYS99 4.6 30.3 1.0
C B:GLN96 4.6 26.0 1.0
C B:CYS100 4.7 26.9 1.0
O B:CYS100 4.7 25.1 1.0
CA B:GLY98 4.8 27.9 1.0
CA B:GLN96 4.9 24.6 1.0
NZ B:LYS99 4.9 42.9 1.0

Zinc binding site 4 out of 4 in 1htb

Go back to Zinc Binding Sites List in 1htb
Zinc binding site 4 out of 4 in the Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn376

b:37.4
occ:1.00
 N1 B:PYZ378 2.0 27.8 1.0
SG B:CYS174 2.0 32.6 1.0
NE2 B:HIS67 2.3 30.0 1.0
SG B:CYS46 2.3 41.6 1.0
N2 B:PYZ378 2.9 16.8 1.0
C5 B:PYZ378 3.0 29.0 1.0
CD2 B:HIS67 3.2 27.8 1.0
CE1 B:HIS67 3.2 25.0 1.0
C5N B:NAD377 3.3 24.2 1.0
CB B:CYS46 3.4 37.3 1.0
CB B:CYS174 3.4 30.4 1.0
OG1 B:THR48 3.8 29.5 1.0
C4N B:NAD377 3.9 25.4 1.0
C4 B:PYZ378 4.0 27.4 1.0
C3 B:PYZ378 4.1 23.4 1.0
C6N B:NAD377 4.1 25.5 1.0
ND1 B:HIS67 4.4 26.9 1.0
CG B:HIS67 4.4 27.2 1.0
CE2 B:PHE93 4.4 20.1 1.0
CB B:THR48 4.5 26.9 1.0
CD2 B:PHE93 4.6 17.8 1.0
CA B:CYS174 4.7 31.1 1.0
CA B:CYS46 4.8 34.7 1.0
CZ B:PHE93 4.9 19.9 1.0
N B:GLY175 4.9 34.3 1.0
C B:CYS174 4.9 33.6 1.0
C3N B:NAD377 5.0 22.5 1.0

Reference:

G.J.Davis, W.F.Bosron, C.L.Stone, K.Owusu-Dekyi, T.D.Hurley. X-Ray Structure of Human BETA3BETA3 Alcohol Dehydrogenase. the Contribution of Ionic Interactions to Coenzyme Binding. J.Biol.Chem. V. 271 17057 1996.
ISSN: ISSN 0021-9258
PubMed: 8663387
DOI: 10.1074/JBC.271.29.17057
Page generated: Wed Dec 16 02:51:57 2020

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