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Zinc in PDB 1n8k: Horse Liver Alcohol Dehydrogenase VAL292THR Mutant Complexed to Nad+ and Pyrazole

Enzymatic activity of Horse Liver Alcohol Dehydrogenase VAL292THR Mutant Complexed to Nad+ and Pyrazole

All present enzymatic activity of Horse Liver Alcohol Dehydrogenase VAL292THR Mutant Complexed to Nad+ and Pyrazole:
1.1.1.1;

Protein crystallography data

The structure of Horse Liver Alcohol Dehydrogenase VAL292THR Mutant Complexed to Nad+ and Pyrazole, PDB code: 1n8k was solved by J.K.Rubach, B.V.Plapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.13
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 44.310, 51.380, 92.670, 91.94, 102.97, 109.93
R / Rfree (%) 14.4 / 16.7

Zinc Binding Sites:

The binding sites of Zinc atom in the Horse Liver Alcohol Dehydrogenase VAL292THR Mutant Complexed to Nad+ and Pyrazole (pdb code 1n8k). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Horse Liver Alcohol Dehydrogenase VAL292THR Mutant Complexed to Nad+ and Pyrazole, PDB code: 1n8k:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 1n8k

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Zinc binding site 1 out of 4 in the Horse Liver Alcohol Dehydrogenase VAL292THR Mutant Complexed to Nad+ and Pyrazole


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Horse Liver Alcohol Dehydrogenase VAL292THR Mutant Complexed to Nad+ and Pyrazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn375

b:12.1
occ:1.00
NE2 A:HIS67 2.0 12.5 1.0
N1 A:PZO378 2.1 13.5 1.0
SG A:CYS174 2.3 12.8 1.0
SG A:CYS46 2.3 11.5 1.0
CE1 A:HIS67 3.0 11.6 1.0
CD2 A:HIS67 3.0 11.2 1.0
C5 A:PZO378 3.1 14.3 1.0
N2 A:PZO378 3.2 15.5 1.0
C5N A:NAJ377 3.2 11.1 1.0
CB A:CYS46 3.3 12.9 1.0
CB A:CYS174 3.4 11.2 1.0
C4N A:NAJ377 3.6 12.7 1.0
C6N A:NAJ377 4.0 10.6 1.0
OG A:SER48 4.1 13.9 1.0
ND1 A:HIS67 4.1 10.6 1.0
CB A:SER48 4.1 11.6 1.0
CG A:HIS67 4.2 10.2 1.0
C4 A:PZO378 4.3 14.4 1.0
C3 A:PZO378 4.3 14.9 1.0
NH2 A:ARG369 4.6 15.7 1.0
CE2 A:PHE93 4.7 12.7 1.0
CA A:CYS174 4.7 10.4 1.0
CA A:CYS46 4.8 12.7 1.0
OE2 A:GLU68 4.9 16.6 1.0
CZ A:PHE93 4.9 12.9 1.0
N A:SER48 5.0 11.1 1.0

Zinc binding site 2 out of 4 in 1n8k

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Zinc binding site 2 out of 4 in the Horse Liver Alcohol Dehydrogenase VAL292THR Mutant Complexed to Nad+ and Pyrazole


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Horse Liver Alcohol Dehydrogenase VAL292THR Mutant Complexed to Nad+ and Pyrazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn376

b:13.1
occ:1.00
SG A:CYS111 2.3 12.5 1.0
SG A:CYS100 2.3 13.0 1.0
SG A:CYS97 2.3 14.8 1.0
SG A:CYS103 2.4 12.6 1.0
CB A:CYS111 3.3 12.2 1.0
CB A:CYS103 3.4 13.4 1.0
CB A:CYS97 3.4 16.5 1.0
CB A:CYS100 3.4 14.8 1.0
N A:CYS97 3.5 12.7 1.0
CA A:CYS111 3.7 11.8 1.0
N A:CYS100 3.9 16.6 1.0
CA A:CYS97 3.9 14.9 1.0
N A:LEU112 4.0 13.2 1.0
N A:GLY98 4.0 14.4 1.0
N A:CYS103 4.2 13.1 1.0
CA A:CYS100 4.2 14.6 1.0
C A:CYS111 4.3 12.1 1.0
C A:CYS97 4.4 15.3 1.0
CA A:CYS103 4.4 12.5 1.0
N A:LYS99 4.5 17.1 1.0
C A:GLN96 4.6 12.6 1.0
N A:LYS113 4.8 13.2 1.0
C A:CYS100 4.9 14.3 1.0
CG A:LYS113 4.9 16.8 1.0
O A:CYS100 4.9 14.9 1.0
CA A:GLN96 5.0 12.2 1.0
O A:HOH1192 5.0 33.4 1.0
CA A:GLY98 5.0 16.4 1.0

Zinc binding site 3 out of 4 in 1n8k

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Zinc binding site 3 out of 4 in the Horse Liver Alcohol Dehydrogenase VAL292THR Mutant Complexed to Nad+ and Pyrazole


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Horse Liver Alcohol Dehydrogenase VAL292THR Mutant Complexed to Nad+ and Pyrazole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn375

b:15.2
occ:1.00
NE2 B:HIS67 2.0 14.5 1.0
N1 B:PZO378 2.1 14.5 1.0
SG B:CYS174 2.3 15.7 1.0
SG B:CYS46 2.3 14.9 1.0
CE1 B:HIS67 3.0 13.2 1.0
CD2 B:HIS67 3.0 14.7 1.0
C5 B:PZO378 3.1 16.3 1.0
N2 B:PZO378 3.2 17.2 1.0
C5N B:NAJ377 3.2 14.5 1.0
CB B:CYS46 3.3 15.5 1.0
CB B:CYS174 3.4 14.1 1.0
C4N B:NAJ377 3.6 15.1 1.0
C6N B:NAJ377 4.0 14.2 1.0
OG B:SER48 4.1 15.9 1.0
ND1 B:HIS67 4.1 14.0 1.0
CB B:SER48 4.2 14.8 1.0
CG B:HIS67 4.2 13.0 1.0
C4 B:PZO378 4.3 17.4 1.0
C3 B:PZO378 4.3 17.6 1.0
NH2 B:ARG369 4.5 16.9 1.0
CE2 B:PHE93 4.7 15.2 1.0
CA B:CYS174 4.7 13.9 1.0
CA B:CYS46 4.8 15.3 1.0
OE2 B:GLU68 4.9 19.8 1.0
CZ B:PHE93 4.9 16.8 1.0
N B:SER48 5.0 14.6 1.0

Zinc binding site 4 out of 4 in 1n8k

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Zinc binding site 4 out of 4 in the Horse Liver Alcohol Dehydrogenase VAL292THR Mutant Complexed to Nad+ and Pyrazole


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Horse Liver Alcohol Dehydrogenase VAL292THR Mutant Complexed to Nad+ and Pyrazole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn376

b:15.8
occ:1.00
SG B:CYS111 2.3 15.2 1.0
SG B:CYS100 2.3 15.9 1.0
SG B:CYS97 2.4 18.2 1.0
SG B:CYS103 2.4 14.7 1.0
CB B:CYS111 3.3 14.0 1.0
CB B:CYS103 3.4 15.8 1.0
CB B:CYS100 3.4 18.8 1.0
CB B:CYS97 3.4 17.9 1.0
N B:CYS97 3.5 15.3 1.0
CA B:CYS111 3.7 13.5 1.0
N B:CYS100 3.9 18.7 1.0
CA B:CYS97 3.9 17.3 1.0
N B:LEU112 3.9 14.7 1.0
N B:GLY98 4.0 17.9 1.0
N B:CYS103 4.2 14.4 1.0
CA B:CYS100 4.2 18.2 1.0
C B:CYS111 4.3 14.4 1.0
C B:CYS97 4.4 18.2 1.0
CA B:CYS103 4.4 14.9 1.0
N B:LYS99 4.5 20.1 1.0
C B:GLN96 4.6 14.3 1.0
N B:LYS113 4.8 16.1 1.0
CG B:LYS113 4.9 20.7 1.0
C B:CYS100 4.9 18.4 1.0
CA B:GLN96 4.9 13.6 1.0
O B:CYS100 5.0 17.5 1.0

Reference:

J.K.Rubach, B.V.Plapp. Amino Acid Residues in the Nicotinamide Binding Site Contribute to Catalysis By Horse Liver Alcohol Dehydrogenase Biochemistry V. 42 2907 2003.
ISSN: ISSN 0006-2960
PubMed: 12627956
DOI: 10.1021/BI0272656
Page generated: Fri Sep 25 22:42:28 2020
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