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Zinc in PDB 1hld: Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols

Enzymatic activity of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols

All present enzymatic activity of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols:
1.1.1.1;

Protein crystallography data

The structure of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols, PDB code: 1hld was solved by S.Ramaswamy, H.Eklund, B.V.Plapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.100, 180.700, 44.300, 90.00, 108.00, 90.00
R / Rfree (%) 18.3 / n/a

Other elements in 1hld:

The structure of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols also contains other interesting chemical elements:

Fluorine (F) 10 atoms
Bromine (Br) 2 atoms

Zinc Binding Sites:

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

Zinc binding site 1 out of 4 in 1hld

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Zinc binding site 1 out of 4 in the Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols


Mono view


Stereo pair view

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

b:17.6
occ:1.00
 O1 A:PFB1001 2.0 8.6 1.0
O1 A:BRB1003 2.2 12.9 1.0
SG A:CYS46 2.2 11.2 1.0
NE2 A:HIS67 2.2 9.9 1.0
SG A:CYS174 2.3 16.1 1.0
CE1 A:HIS67 3.1 2.0 1.0
CB A:CYS46 3.1 9.7 1.0
C7 A:PFB1001 3.2 14.5 1.0
CD2 A:HIS67 3.3 6.1 1.0
C7 A:BRB1003 3.3 21.4 1.0
C5N A:NAD801 3.3 7.2 1.0
CB A:CYS174 3.5 12.7 1.0
OG A:SER48 3.8 15.7 1.0
C6N A:NAD801 3.9 10.5 1.0
F6 A:PFB1001 4.0 19.9 1.0
CB A:SER48 4.0 14.0 1.0
C4N A:NAD801 4.1 8.9 1.0
C1 A:PFB1001 4.3 17.9 1.0
ND1 A:HIS67 4.3 7.4 1.0
CG A:HIS67 4.4 8.3 1.0
C1 A:BRB1003 4.5 25.9 1.0
NH2 A:ARG369 4.5 13.1 1.0
CA A:CYS46 4.6 12.1 1.0
C6 A:PFB1001 4.6 19.1 1.0
N A:SER48 4.7 13.7 1.0
CA A:CYS174 4.9 15.3 1.0
N A:GLY175 4.9 13.7 1.0
OE2 A:GLU68 5.0 14.5 1.0
C6 A:BRB1003 5.0 29.6 1.0

Zinc binding site 2 out of 4 in 1hld

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Zinc binding site 2 out of 4 in the Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols


Mono view


Stereo pair view

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

b:18.9
occ:1.00
 SG A:CYS103 2.3 16.3 1.0
SG A:CYS97 2.3 20.1 1.0
SG A:CYS100 2.3 25.6 1.0
SG A:CYS111 2.4 13.4 1.0
CB A:CYS103 3.3 19.3 1.0
CB A:CYS111 3.4 16.5 1.0
CB A:CYS97 3.5 17.4 1.0
CB A:CYS100 3.5 30.5 1.0
N A:CYS97 3.6 22.3 1.0
N A:CYS100 3.8 31.3 1.0
N A:GLY98 3.8 28.7 1.0
CA A:CYS111 3.8 16.6 1.0
CA A:CYS97 4.0 21.0 1.0
N A:LEU112 4.0 17.2 1.0
CA A:CYS100 4.2 29.1 1.0
N A:CYS103 4.2 22.0 1.0
C A:CYS97 4.3 23.8 1.0
CA A:CYS103 4.3 21.4 1.0
C A:CYS111 4.4 16.5 1.0
N A:LYS99 4.4 33.0 1.0
C A:GLN96 4.6 21.8 1.0
CA A:GLY98 4.8 28.8 1.0
CA A:GLN96 4.8 20.2 1.0
O A:CYS100 4.8 26.9 1.0
CG A:LYS113 4.8 32.3 1.0
C A:CYS100 4.8 27.6 1.0
N A:LYS113 4.9 20.1 1.0
C A:LYS99 5.0 34.6 1.0
C A:GLY98 5.0 30.9 1.0

Zinc binding site 3 out of 4 in 1hld

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Zinc binding site 3 out of 4 in the Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn775

b:22.6
occ:1.00
 O1 B:PFB1002 2.1 19.8 1.0
O1 B:BRB1004 2.1 16.6 1.0
SG B:CYS174 2.2 16.5 1.0
SG B:CYS46 2.2 14.5 1.0
NE2 B:HIS67 2.2 15.8 1.0
C7 B:BRB1004 3.2 21.5 1.0
CE1 B:HIS67 3.2 11.7 1.0
C7 B:PFB1002 3.2 18.4 1.0
CD2 B:HIS67 3.2 12.7 1.0
CB B:CYS46 3.2 12.8 1.0
CB B:CYS174 3.5 18.6 1.0
C5N B:NAD901 3.5 11.1 1.0
OG B:SER48 3.8 19.3 1.0
F6 B:PFB1002 4.0 21.5 1.0
C6N B:NAD901 4.0 16.1 1.0
CB B:SER48 4.1 20.7 1.0
C4N B:NAD901 4.2 16.8 1.0
C1 B:PFB1002 4.3 22.5 1.0
ND1 B:HIS67 4.3 14.0 1.0
CG B:HIS67 4.3 17.2 1.0
C1 B:BRB1004 4.3 27.9 1.0
C6 B:PFB1002 4.6 24.9 1.0
NH2 B:ARG369 4.6 16.4 1.0
CA B:CYS46 4.7 17.3 1.0
CA B:CYS174 4.8 20.1 1.0
N B:GLY175 4.8 19.1 1.0
N B:SER48 4.9 14.5 1.0
C6 B:BRB1004 4.9 25.3 1.0

Zinc binding site 4 out of 4 in 1hld

Go back to Zinc Binding Sites List in 1hld
Zinc binding site 4 out of 4 in the Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn776

b:25.0
occ:1.00
 SG B:CYS103 2.3 20.1 1.0
SG B:CYS100 2.4 21.9 1.0
SG B:CYS111 2.5 19.6 1.0
SG B:CYS97 2.5 27.5 1.0
CB B:CYS103 3.2 27.8 1.0
CB B:CYS111 3.4 18.9 1.0
CB B:CYS97 3.5 26.6 1.0
CB B:CYS100 3.6 22.0 1.0
N B:CYS97 3.6 24.7 1.0
N B:CYS100 3.7 28.7 1.0
N B:GLY98 3.8 28.1 1.0
CA B:CYS111 3.8 20.0 1.0
CA B:CYS97 4.0 26.0 1.0
N B:LEU112 4.0 21.3 1.0
N B:CYS103 4.1 25.8 1.0
CA B:CYS100 4.2 25.8 1.0
CA B:CYS103 4.2 27.8 1.0
N B:LYS99 4.2 27.6 1.0
C B:CYS97 4.2 28.9 1.0
C B:CYS111 4.3 22.0 1.0
C B:GLN96 4.5 22.6 1.0
CA B:GLY98 4.7 27.8 1.0
O B:CYS100 4.7 26.1 1.0
C B:CYS100 4.8 26.5 1.0
CA B:GLN96 4.8 23.9 1.0
N B:LYS113 4.8 30.1 1.0
C B:LYS99 4.9 30.3 1.0
CG B:LYS113 4.9 34.6 1.0
C B:GLY98 4.9 28.6 1.0

Reference:

S.Ramaswamy, H.Eklund, B.V.Plapp. Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols. Biochemistry V. 33 5230 1994.
ISSN: ISSN 0006-2960
PubMed: 8172897
DOI: 10.1021/BI00183A028
Page generated: Sun Oct 13 02:17:48 2024

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