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Chlorine in PDB 2w98: Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1 (ZADH1) in Ternary Complex with Nadp and Phenylbutazone

Enzymatic activity of Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1 (ZADH1) in Ternary Complex with Nadp and Phenylbutazone

All present enzymatic activity of Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1 (ZADH1) in Ternary Complex with Nadp and Phenylbutazone:
1.3.1.48;

Protein crystallography data

The structure of Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1 (ZADH1) in Ternary Complex with Nadp and Phenylbutazone, PDB code: 2w98 was solved by N.Shafqat, W.W.Yue, J.Muniz, S.Picaud, F.Niesen, C.Arrowsmith, J.Weigelt, A.Edwards, C.Bountra, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 53.40 / 1.85
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 141.014, 82.793, 69.097, 90.00, 99.77, 90.00
R / Rfree (%) 15.8 / 18.8

Other elements in 2w98:

The structure of Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1 (ZADH1) in Ternary Complex with Nadp and Phenylbutazone also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1 (ZADH1) in Ternary Complex with Nadp and Phenylbutazone (pdb code 2w98). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1 (ZADH1) in Ternary Complex with Nadp and Phenylbutazone, PDB code: 2w98:

Chlorine binding site 1 out of 1 in 2w98

Go back to Chlorine Binding Sites List in 2w98
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1 (ZADH1) in Ternary Complex with Nadp and Phenylbutazone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1 (ZADH1) in Ternary Complex with Nadp and Phenylbutazone within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1363

b:43.0
occ:1.00
 O B:HOH2033 2.7 23.1 1.0
O B:VAL117 2.8 7.5 1.0
N B:PHE95 2.9 4.6 1.0
NZ B:LYS116 3.2 38.3 1.0
O B:PHE95 3.6 4.6 1.0
CA B:ASP94 3.6 5.1 1.0
C B:ASP94 3.7 5.6 1.0
CA B:PHE95 3.7 4.4 1.0
CG B:LYS116 3.8 14.7 1.0
CB B:PHE95 3.8 5.9 1.0
CD2 B:PHE95 3.9 7.6 1.0
CE B:LYS116 4.0 31.9 1.0
CB B:ASP94 4.0 5.0 1.0
C B:VAL117 4.0 7.2 1.0
C B:PHE95 4.1 2.4 1.0
CD B:PRO119 4.3 9.4 1.0
OD1 B:ASP94 4.3 12.4 1.0
O B:HOH2070 4.3 20.9 1.0
CG B:PHE95 4.3 3.8 1.0
CD B:LYS116 4.4 21.5 1.0
N B:VAL117 4.4 7.7 1.0
CG B:ASP94 4.5 12.9 1.0
O B:GLY93 4.8 7.9 1.0
CA B:VAL117 4.9 7.7 1.0
N B:ASP94 4.9 5.9 1.0
O B:ASP94 4.9 5.9 1.0
N B:ASP118 5.0 7.3 1.0
CG B:PRO119 5.0 11.9 1.0

Reference:

N.Shafqat, W.W.Yue, F.Niesen, U.Oppermann. Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1 To Be Published.
Page generated: Sat Jul 20 12:37:49 2024

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