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Zinc in PDB 7uq9: S48T Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide

Enzymatic activity of S48T Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide

All present enzymatic activity of S48T Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide:
1.1.1.1;

Protein crystallography data

The structure of S48T Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide, PDB code: 7uq9 was solved by C.Zheng, S.G.Boxer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.26 / 1.40
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 44.356, 51.269, 92.824, 92.37, 103.03, 109.5
R / Rfree (%) 15.6 / 18.3

Zinc Binding Sites:

The binding sites of Zinc atom in the S48T Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide (pdb code 7uq9). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the S48T Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide, PDB code: 7uq9:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 7uq9

Go back to Zinc Binding Sites List in 7uq9
Zinc binding site 1 out of 4 in the S48T Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of S48T Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:13.2
occ:1.00
NE2 A:HIS67 2.1 12.8 1.0
O9 A:CXF404 2.2 14.0 1.0
SG A:CYS174 2.3 12.3 1.0
SG A:CYS46 2.3 12.7 1.0
C7 A:CXF404 2.9 15.5 1.0
CD2 A:HIS67 3.1 12.5 1.0
CE1 A:HIS67 3.1 11.9 1.0
CB A:CYS46 3.2 12.3 1.0
CB A:CYS174 3.3 11.3 1.0
C5N A:NAI403 3.4 11.0 1.0
OG1 A:THR48 3.9 12.6 1.0
CB A:THR48 3.9 14.2 1.0
C6N A:NAI403 4.1 11.2 1.0
C4N A:NAI403 4.2 10.7 1.0
ND1 A:HIS67 4.2 12.4 1.0
CG A:HIS67 4.2 12.8 1.0
N8 A:CXF404 4.2 16.4 1.0
NH2 A:ARG369 4.5 13.9 1.0
OE1 A:GLU68 4.5 14.8 1.0
CA A:CYS46 4.7 12.2 1.0
CA A:CYS174 4.7 10.7 1.0
CG2 A:THR48 4.7 14.6 1.0
N A:THR48 4.9 10.0 1.0
N A:GLY175 5.0 11.3 1.0
CE2 A:PHE93 5.0 12.5 1.0

Zinc binding site 2 out of 4 in 7uq9

Go back to Zinc Binding Sites List in 7uq9
Zinc binding site 2 out of 4 in the S48T Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of S48T Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn402

b:14.8
occ:1.00
SG A:CYS100 2.3 15.2 1.0
SG A:CYS97 2.4 16.0 1.0
SG A:CYS103 2.4 14.8 1.0
SG A:CYS111 2.4 14.3 1.0
CB A:CYS111 3.4 13.5 1.0
CB A:CYS100 3.4 15.0 1.0
CB A:CYS103 3.4 16.2 1.0
CB A:CYS97 3.4 15.5 1.0
N A:CYS97 3.5 13.8 1.0
CA A:CYS111 3.8 12.2 1.0
N A:CYS100 3.8 18.5 1.0
CA A:CYS97 3.9 14.8 1.0
N A:GLY98 4.0 17.1 1.0
N A:LEU112 4.0 13.5 1.0
CA A:CYS100 4.2 17.1 1.0
N A:CYS103 4.2 14.4 1.0
C A:CYS111 4.3 13.5 1.0
C A:CYS97 4.3 16.8 1.0
CA A:CYS103 4.4 14.9 1.0
N A:LYS99 4.4 18.8 1.0
C A:GLN96 4.6 14.7 1.0
CG A:LYS113 4.7 20.5 1.0
C A:CYS100 4.8 15.9 1.0
N A:LYS113 4.9 14.3 1.0
O A:CYS100 4.9 17.1 1.0
CA A:GLY98 4.9 18.5 1.0
C A:LYS99 5.0 21.5 1.0
CA A:GLN96 5.0 14.2 1.0

Zinc binding site 3 out of 4 in 7uq9

Go back to Zinc Binding Sites List in 7uq9
Zinc binding site 3 out of 4 in the S48T Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of S48T Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn401

b:16.9
occ:1.00
NE2 B:HIS67 2.2 14.9 1.0
O9 B:CXF404 2.2 17.1 1.0
SG B:CYS174 2.3 15.3 1.0
SG B:CYS46 2.3 15.6 1.0
C7 B:CXF404 2.9 18.6 1.0
CE1 B:HIS67 3.1 14.5 1.0
CD2 B:HIS67 3.1 16.4 1.0
CB B:CYS46 3.2 15.4 1.0
CB B:CYS174 3.3 15.0 1.0
C5N B:NAI403 3.5 14.6 1.0
OG1 B:THR48 4.0 15.7 1.0
CB B:THR48 4.0 16.0 1.0
C4N B:NAI403 4.1 14.8 1.0
C6N B:NAI403 4.1 15.5 1.0
ND1 B:HIS67 4.2 14.7 1.0
N8 B:CXF404 4.2 19.5 1.0
CG B:HIS67 4.3 15.7 1.0
NH2 B:ARG369 4.5 16.9 1.0
OE1 B:GLU68 4.6 18.6 1.0
CA B:CYS174 4.7 14.7 1.0
CA B:CYS46 4.7 15.7 1.0
CG2 B:THR48 4.8 17.3 1.0
N B:THR48 4.9 15.2 1.0
CE2 B:PHE93 5.0 15.8 1.0
N B:GLY175 5.0 15.2 1.0

Zinc binding site 4 out of 4 in 7uq9

Go back to Zinc Binding Sites List in 7uq9
Zinc binding site 4 out of 4 in the S48T Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of S48T Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn402

b:19.4
occ:1.00
SG B:CYS100 2.3 18.6 1.0
SG B:CYS103 2.3 17.4 1.0
SG B:CYS111 2.3 18.7 1.0
SG B:CYS97 2.4 20.7 1.0
CB B:CYS111 3.3 17.9 1.0
CB B:CYS103 3.4 16.9 1.0
CB B:CYS97 3.4 21.2 1.0
CB B:CYS100 3.5 18.3 1.0
N B:CYS97 3.5 19.8 1.0
CA B:CYS111 3.8 16.1 1.0
N B:CYS100 3.9 21.1 1.0
CA B:CYS97 3.9 20.9 1.0
N B:GLY98 3.9 21.4 1.0
N B:LEU112 4.0 16.7 1.0
N B:CYS103 4.2 16.0 1.0
CA B:CYS100 4.2 20.2 1.0
C B:CYS111 4.3 16.2 1.0
C B:CYS97 4.3 22.4 1.0
CA B:CYS103 4.4 16.3 1.0
N B:LYS99 4.4 24.2 1.0
C B:GLN96 4.6 19.3 1.0
CG B:LYS113 4.8 25.4 1.0
C B:CYS100 4.9 19.8 1.0
N B:LYS113 4.9 17.9 1.0
CA B:GLN96 4.9 17.1 1.0
CA B:GLY98 4.9 23.4 1.0
O B:CYS100 4.9 22.4 1.0
C B:LYS99 5.0 23.0 1.0

Reference:

C.Zheng, S.G.Boxer. Structure of S48T Horse Liver Alcohol Dehydrogenase at 1.40 Angstroms Resolution To Be Published.
Page generated: Sat Apr 8 04:24:28 2023

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