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Zinc in PDB 1adb: Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes

Enzymatic activity of Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes

All present enzymatic activity of Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes:
1.1.1.1;

Protein crystallography data

The structure of Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes, PDB code: 1adb was solved by H.Li, W.A.Hallows, J.S.Punzi, K.W.Pankiewicz, K.A.Watanabe, B.M.Goldstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 2.40
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 52.100, 44.700, 93.500, 103.30, 87.90, 70.40
R / Rfree (%) 18 / n/a

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes (pdb code 1adb). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes, PDB code: 1adb:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 1adb

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Zinc binding site 1 out of 4 in the Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn375

b:14.2
occ:1.00
 NE2 A:HIS67 2.0 3.6 1.0
SG A:CYS46 2.2 2.8 1.0
SG A:CYS174 2.2 9.7 1.0
N5N A:CND377 2.2 2.2 1.0
CE1 A:HIS67 2.9 2.1 1.0
CD2 A:HIS67 3.1 2.1 1.0
C6N A:CND377 3.1 2.5 1.0
C4N A:CND377 3.2 2.5 1.0
CB A:CYS46 3.3 2.1 1.0
CB A:CYS174 3.6 9.4 1.0
ND1 A:HIS67 4.1 2.2 1.0
H A:SER48 4.2 15.0 1.0
CG A:HIS67 4.2 2.0 1.0
HH21 A:ARG369 4.3 15.0 1.0
O A:EOH378 4.3 8.1 1.0
C1N A:CND377 4.4 2.0 1.0
HH22 A:ARG369 4.4 15.0 1.0
CB A:SER48 4.4 2.2 1.0
C3N A:CND377 4.5 3.7 1.0
OG A:SER48 4.5 2.7 1.0
NH2 A:ARG369 4.6 2.2 1.0
H A:GLY175 4.6 15.0 1.0
OE1 A:GLU68 4.7 15.0 1.0
CA A:CYS46 4.7 4.4 1.0
N A:GLY175 4.8 7.2 1.0
H A:ARG47 4.9 15.0 1.0
CA A:CYS174 4.9 6.1 1.0
HD1 A:HIS67 5.0 15.0 1.0
C2N A:CND377 5.0 4.0 1.0

Zinc binding site 2 out of 4 in 1adb

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Zinc binding site 2 out of 4 in the Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn376

b:19.0
occ:1.00
 SG A:CYS97 2.0 20.3 1.0
SG A:CYS111 2.2 5.0 1.0
SG A:CYS103 2.2 14.8 1.0
SG A:CYS100 2.4 16.3 1.0
H A:CYS97 2.9 15.0 1.0
H A:CYS100 3.3 15.0 1.0
CB A:CYS111 3.4 14.0 1.0
H A:GLY98 3.4 15.0 1.0
CB A:CYS97 3.4 11.3 1.0
H A:LEU112 3.4 15.0 1.0
N A:CYS97 3.5 10.6 1.0
CB A:CYS103 3.5 14.2 1.0
CB A:CYS100 3.5 16.3 1.0
H A:CYS103 3.8 15.0 1.0
CA A:CYS97 3.9 14.2 1.0
CA A:CYS111 3.9 17.2 1.0
N A:GLY98 3.9 14.5 1.0
N A:CYS100 3.9 17.3 1.0
N A:LEU112 4.0 16.6 1.0
H A:LYS99 4.0 15.0 1.0
H A:LYS113 4.1 15.0 1.0
CA A:CYS100 4.2 14.9 1.0
C A:CYS97 4.3 14.6 1.0
N A:CYS103 4.4 19.9 1.0
C A:CYS111 4.4 15.7 1.0
CA A:CYS103 4.5 19.1 1.0
C A:GLN96 4.5 10.1 1.0
HZ1 A:LYS113 4.5 15.0 1.0
N A:LYS99 4.5 22.0 1.0
CG A:LYS113 4.7 18.1 1.0
O A:CYS100 4.8 19.2 1.0
CA A:GLN96 4.8 5.8 1.0
N A:LYS113 4.8 12.3 1.0
C A:CYS100 4.8 16.9 1.0
CA A:GLY98 4.9 16.4 1.0
CA A:LEU112 5.0 16.0 1.0

Zinc binding site 3 out of 4 in 1adb

Go back to Zinc Binding Sites List in 1adb
Zinc binding site 3 out of 4 in the Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn375

b:16.1
occ:1.00
 NE2 B:HIS67 2.1 13.9 1.0
N5N B:CND377 2.2 10.1 1.0
SG B:CYS174 2.3 10.6 1.0
SG B:CYS46 2.4 24.5 1.0
CE1 B:HIS67 2.9 10.3 1.0
C6N B:CND377 3.2 8.3 1.0
C4N B:CND377 3.2 10.9 1.0
CD2 B:HIS67 3.2 4.2 1.0
CB B:CYS46 3.5 20.7 1.0
OG B:SER48 3.6 19.8 1.0
CB B:CYS174 3.8 2.8 1.0
O B:EOH378 4.0 15.1 1.0
ND1 B:HIS67 4.1 7.5 1.0
H B:SER48 4.2 15.0 1.0
HH21 B:ARG369 4.2 15.0 1.0
CB B:SER48 4.2 13.8 1.0
HH22 B:ARG369 4.3 15.0 1.0
CG B:HIS67 4.3 8.6 1.0
OE1 B:GLU68 4.5 19.6 1.0
HG B:SER48 4.5 15.0 1.0
C1N B:CND377 4.5 10.1 1.0
C3N B:CND377 4.5 14.7 1.0
H B:GLY175 4.5 15.0 1.0
NH2 B:ARG369 4.6 23.1 1.0
N B:GLY175 4.9 11.8 1.0
CA B:CYS46 4.9 14.5 1.0
HD1 B:HIS67 5.0 15.0 1.0
N B:SER48 5.0 11.8 1.0

Zinc binding site 4 out of 4 in 1adb

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Zinc binding site 4 out of 4 in the Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn376

b:16.6
occ:1.00
 SG B:CYS100 2.0 20.3 1.0
SG B:CYS97 2.2 18.4 1.0
SG B:CYS103 2.3 2.2 1.0
SG B:CYS111 2.6 18.7 1.0
H B:CYS97 3.1 15.0 1.0
H B:CYS100 3.2 15.0 1.0
CB B:CYS100 3.3 16.1 1.0
H B:GLY98 3.4 15.0 1.0
CB B:CYS103 3.5 12.3 1.0
H B:LEU112 3.5 15.0 1.0
N B:CYS97 3.6 16.4 1.0
CB B:CYS111 3.6 14.8 1.0
CB B:CYS97 3.6 15.9 1.0
H B:CYS103 3.7 15.0 1.0
H B:LYS99 3.9 15.0 1.0
N B:CYS100 3.9 19.2 1.0
H B:LYS113 3.9 15.0 1.0
N B:GLY98 3.9 22.5 1.0
N B:LEU112 4.0 13.0 1.0
CA B:CYS111 4.0 10.2 1.0
CA B:CYS97 4.0 18.3 1.0
CA B:CYS100 4.2 17.7 1.0
CG B:LYS113 4.2 30.0 1.0
N B:CYS103 4.3 13.6 1.0
C B:CYS97 4.4 20.9 1.0
C B:CYS111 4.4 12.4 1.0
CA B:CYS103 4.5 12.6 1.0
N B:LYS99 4.5 25.1 1.0
C B:GLN96 4.5 12.8 1.0
N B:LYS113 4.6 16.6 1.0
CA B:GLN96 4.7 9.3 1.0
O B:CYS100 4.8 13.8 1.0
C B:CYS100 4.8 15.6 1.0
CA B:GLY98 4.9 24.3 1.0
CA B:LEU112 4.9 13.0 1.0
CB B:LYS113 5.0 21.8 1.0
C B:LYS99 5.0 23.2 1.0

Reference:

H.Li, W.H.Hallows, J.S.Punzi, K.W.Pankiewicz, K.A.Watanabe, B.M.Goldstein. Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes. Biochemistry V. 33 11734 1994.
ISSN: ISSN 0006-2960
PubMed: 7918390
DOI: 10.1021/BI00205A009
Page generated: Wed Dec 16 02:44:33 2020

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