Atomistry » Zinc » PDB 1hlk-1hxr » 1htb
Atomistry »
  Zinc »
    PDB 1hlk-1hxr »
      1htb »

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: Sun Oct 13 02:32:18 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy