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Zinc in PDB 1adc: 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: 1adc 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 / 2.70
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 51.900, 44.800, 93.000, 103.10, 87.80, 70.40
R / Rfree (%) 17 / 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 1adc). 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: 1adc:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 1adc

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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:8.4
occ:1.00
 SG A:CYS174 1.9 8.2 1.0
NE2 A:HIS67 2.0 3.4 1.0
SG A:CYS46 2.1 9.6 1.0
O A:EOH378 2.5 2.0 1.0
CB A:CYS46 3.0 5.5 1.0
CE1 A:HIS67 3.0 6.0 1.0
CD2 A:HIS67 3.1 2.0 1.0
CB A:CYS174 3.4 4.8 1.0
C5N A:PAD377 3.7 3.0 1.0
OG A:SER48 3.8 2.0 1.0
C1 A:EOH378 4.0 2.0 1.0
ND1 A:HIS67 4.2 2.0 1.0
H A:GLY175 4.2 15.0 1.0
H A:SER48 4.2 15.0 1.0
CG A:HIS67 4.3 3.2 1.0
C6N A:PAD377 4.3 2.0 1.0
C4N A:PAD377 4.3 4.5 1.0
HH21 A:ARG369 4.3 15.0 1.0
CA A:CYS46 4.4 7.4 1.0
CB A:SER48 4.4 2.0 1.0
HH22 A:ARG369 4.5 15.0 1.0
H11 A:EOH378 4.5 15.0 1.0
H12 A:EOH378 4.6 15.0 1.0
C2 A:EOH378 4.6 2.9 1.0
N A:GLY175 4.6 3.4 1.0
OE2 A:GLU68 4.6 17.4 1.0
CA A:CYS174 4.7 3.0 1.0
HG A:SER48 4.7 15.0 1.0
NH2 A:ARG369 4.7 4.4 1.0
CD A:GLU68 4.9 4.2 1.0
C A:CYS46 5.0 9.8 1.0
C A:CYS174 5.0 4.5 1.0

Zinc binding site 2 out of 4 in 1adc

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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:13.8
occ:1.00
 SG A:CYS111 1.8 2.0 1.0
SG A:CYS97 2.0 21.6 1.0
SG A:CYS103 2.2 11.9 1.0
SG A:CYS100 2.2 21.3 1.0
H A:GLY98 3.1 15.0 1.0
H A:CYS97 3.2 15.0 1.0
CB A:CYS111 3.4 2.0 1.0
N A:CYS97 3.4 14.3 1.0
CB A:CYS97 3.4 23.8 1.0
H A:CYS100 3.4 15.0 1.0
CB A:CYS103 3.6 10.5 1.0
H A:LEU112 3.6 15.0 1.0
N A:GLY98 3.7 19.4 1.0
CB A:CYS100 3.7 11.6 1.0
CA A:CYS97 3.8 18.2 1.0
H A:CYS103 3.9 15.0 1.0
CA A:CYS111 4.0 7.4 1.0
C A:GLN96 4.0 6.9 1.0
H A:LYS113 4.1 15.0 1.0
H A:LYS99 4.1 15.0 1.0
C A:CYS97 4.2 22.8 1.0
N A:LEU112 4.2 16.8 1.0
N A:CYS100 4.2 13.7 1.0
CA A:GLN96 4.3 2.0 1.0
HZ1 A:LYS113 4.4 15.0 1.0
N A:CYS103 4.5 13.6 1.0
CA A:CYS100 4.5 12.9 1.0
C A:CYS111 4.5 11.9 1.0
CA A:CYS103 4.6 13.0 1.0
N A:LYS99 4.6 22.3 1.0
CA A:GLY98 4.7 21.5 1.0
CG A:LYS113 4.7 23.3 1.0
O A:GLN96 4.8 10.2 1.0
N A:GLN96 4.8 4.5 1.0
N A:LYS113 4.9 18.5 1.0
O A:CYS100 4.9 14.1 1.0

Zinc binding site 3 out of 4 in 1adc

Go back to Zinc Binding Sites List in 1adc
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:13.3
occ:1.00
 O B:EOH378 1.6 18.0 1.0
SG B:CYS174 2.0 2.0 1.0
NE2 B:HIS67 2.0 11.4 1.0
SG B:CYS46 2.2 12.6 1.0
CE1 B:HIS67 2.7 14.2 1.0
OG B:SER48 2.9 7.6 1.0
CB B:CYS46 3.0 20.5 1.0
C1 B:EOH378 3.1 5.2 1.0
CD2 B:HIS67 3.2 5.7 1.0
CB B:CYS174 3.5 9.6 1.0
H12 B:EOH378 3.5 15.0 1.0
HG B:SER48 3.6 15.0 1.0
C5N B:PAD377 3.6 2.0 1.0
H11 B:EOH378 3.7 15.0 1.0
ND1 B:HIS67 4.0 11.3 1.0
H B:SER48 4.1 15.0 1.0
C6N B:PAD377 4.1 2.0 1.0
CB B:SER48 4.1 3.6 1.0
C2 B:EOH378 4.1 2.0 1.0
CG B:HIS67 4.2 10.4 1.0
HH21 B:ARG369 4.3 15.0 1.0
HH22 B:ARG369 4.3 15.0 1.0
C4N B:PAD377 4.3 8.2 1.0
H B:GLY175 4.4 15.0 1.0
CA B:CYS46 4.5 15.7 1.0
OE1 B:GLU68 4.6 16.2 1.0
NH2 B:ARG369 4.6 17.7 1.0
HD1 B:HIS67 4.8 15.0 1.0
CA B:CYS174 4.8 7.4 1.0
N B:GLY175 4.8 8.5 1.0
N B:SER48 4.9 8.3 1.0

Zinc binding site 4 out of 4 in 1adc

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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:15.1
occ:1.00
 SG B:CYS103 2.0 7.0 1.0
SG B:CYS100 2.0 20.4 1.0
SG B:CYS111 2.1 7.8 1.0
SG B:CYS97 2.3 18.3 1.0
H B:CYS100 3.2 15.0 1.0
H B:CYS97 3.2 15.0 1.0
H B:GLY98 3.3 15.0 1.0
CB B:CYS111 3.3 10.0 1.0
CB B:CYS97 3.4 11.8 1.0
N B:CYS97 3.5 7.0 1.0
CB B:CYS103 3.6 4.2 1.0
CB B:CYS100 3.6 14.9 1.0
H B:LEU112 3.7 15.0 1.0
H B:CYS103 3.8 15.0 1.0
N B:GLY98 3.8 14.7 1.0
H B:LYS99 3.9 15.0 1.0
CA B:CYS97 3.9 10.1 1.0
N B:CYS100 3.9 17.5 1.0
CA B:CYS111 4.0 10.8 1.0
C B:CYS97 4.2 9.5 1.0
H B:LYS113 4.2 15.0 1.0
N B:LEU112 4.3 14.6 1.0
CA B:CYS100 4.3 14.2 1.0
C B:GLN96 4.3 6.2 1.0
N B:CYS103 4.4 6.7 1.0
N B:LYS99 4.4 21.1 1.0
CA B:CYS103 4.6 5.5 1.0
C B:CYS111 4.6 11.1 1.0
CA B:GLN96 4.6 2.3 1.0
O B:CYS100 4.7 10.5 1.0
CA B:GLY98 4.8 21.3 1.0
C B:CYS100 4.8 14.7 1.0
CG B:LYS113 5.0 20.0 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: Sat Oct 12 21:57:30 2024

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