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Zinc in PDB 1llu: The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate

Enzymatic activity of The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate

All present enzymatic activity of The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate:
1.1.1.1;

Protein crystallography data

The structure of The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate, PDB code: 1llu was solved by I.Levin, G.Meiri, M.Peretz, F.Frolow, Y.Burstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.99 / 2.30
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 74.171, 86.328, 125.698, 79.34, 78.66, 71.58
R / Rfree (%) 22.9 / 24.6

Zinc Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Zinc atom in the The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate (pdb code 1llu). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 16 binding sites of Zinc where determined in the The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate, PDB code: 1llu:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 16 in 1llu

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Zinc binding site 1 out of 16 in the The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn343

b:18.0
occ:1.00
 O2 A:EDO1260 2.2 15.6 1.0
NE2 A:HIS67 2.2 15.4 1.0
SG A:CYS44 2.4 17.9 1.0
SG A:CYS154 2.5 15.7 1.0
CD2 A:HIS67 2.9 15.1 1.0
CB A:CYS44 3.3 14.7 1.0
C2 A:EDO1260 3.4 19.8 1.0
CE1 A:HIS67 3.4 17.0 1.0
CB A:CYS154 3.6 15.4 1.0
C5N A:NAD1250 3.7 18.1 1.0
OG1 A:THR46 3.8 17.4 1.0
CB A:THR46 3.9 14.3 1.0
C6N A:NAD1250 3.9 14.7 1.0
C4N A:NAD1250 4.1 15.2 1.0
CG A:HIS67 4.1 16.3 1.0
ND1 A:HIS67 4.3 16.8 1.0
CG2 A:THR46 4.6 12.6 1.0
C1 A:EDO1260 4.6 19.4 1.0
NH2 A:ARG337 4.6 17.0 1.0
CA A:CYS44 4.8 15.2 1.0
N1N A:NAD1250 4.9 16.1 1.0
CA A:CYS154 4.9 15.3 1.0
OE2 A:GLU68 4.9 22.9 1.0
N A:THR46 4.9 15.2 1.0

Zinc binding site 2 out of 16 in 1llu

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Zinc binding site 2 out of 16 in the The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn344

b:23.2
occ:1.00
 SG A:CYS112 2.4 18.0 1.0
SG A:CYS104 2.4 14.6 1.0
SG A:CYS98 2.5 23.1 1.0
SG A:CYS101 2.6 19.9 1.0
CB A:CYS112 3.3 15.5 1.0
CB A:CYS104 3.4 19.6 1.0
CB A:CYS101 3.5 23.7 1.0
CB A:CYS98 3.6 19.9 1.0
N A:CYS98 3.6 19.6 1.0
N A:GLY99 3.8 20.4 1.0
N A:CYS101 3.9 25.1 1.0
CA A:CYS98 4.0 20.0 1.0
CA A:CYS112 4.1 15.3 1.0
O A:HOH1289 4.2 21.0 1.0
N A:CYS104 4.3 19.0 1.0
C A:CYS98 4.3 19.7 1.0
CA A:CYS101 4.3 24.3 1.0
CA A:CYS104 4.4 20.0 1.0
O A:HOH1404 4.4 42.2 1.0
N A:CYS100 4.4 23.4 1.0
C A:ALA97 4.7 18.9 1.0
CB A:ALA97 4.7 17.6 1.0
CA A:GLY99 4.7 20.6 1.0
C A:CYS112 4.9 17.1 1.0
C A:CYS101 4.9 22.5 1.0
C A:GLY99 5.0 22.5 1.0

Zinc binding site 3 out of 16 in 1llu

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Zinc binding site 3 out of 16 in the The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn343

b:34.1
occ:1.00
 NE2 B:HIS67 2.1 31.1 1.0
O2 B:EDO1262 2.2 30.0 1.0
SG B:CYS44 2.4 35.1 1.0
SG B:CYS154 2.4 27.5 1.0
CD2 B:HIS67 3.0 32.2 1.0
CB B:CYS44 3.2 34.5 1.0
CE1 B:HIS67 3.2 32.0 1.0
C2 B:EDO1262 3.3 33.8 1.0
CB B:CYS154 3.5 23.6 1.0
C5N B:NAD1251 3.8 33.8 1.0
C4N B:NAD1251 4.0 34.1 1.0
CB B:THR46 4.0 37.4 1.0
CG B:HIS67 4.2 33.1 1.0
ND1 B:HIS67 4.2 33.5 1.0
C6N B:NAD1251 4.2 34.9 1.0
OG1 B:THR46 4.3 39.9 1.0
CG2 B:THR46 4.5 36.8 1.0
C1 B:EDO1262 4.6 35.2 1.0
NH2 B:ARG337 4.6 40.0 1.0
CA B:CYS44 4.6 34.9 1.0
CA B:CYS154 4.9 24.8 1.0
O B:HOH1271 4.9 25.9 1.0
N B:THR46 5.0 36.1 1.0
O1 B:EDO1262 5.0 36.7 1.0

Zinc binding site 4 out of 16 in 1llu

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Zinc binding site 4 out of 16 in the The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn344

b:29.4
occ:1.00
 SG B:CYS101 2.4 28.2 1.0
SG B:CYS104 2.5 25.3 1.0
SG B:CYS112 2.5 29.0 1.0
SG B:CYS98 2.5 30.9 1.0
CB B:CYS112 3.2 28.6 1.0
CB B:CYS104 3.3 29.9 1.0
CB B:CYS101 3.4 33.2 1.0
CB B:CYS98 3.6 32.6 1.0
N B:CYS98 3.6 32.0 1.0
N B:GLY99 3.7 31.0 1.0
N B:CYS101 3.9 35.2 1.0
CA B:CYS112 4.0 27.1 1.0
CA B:CYS98 4.0 32.4 1.0
CA B:CYS101 4.2 34.4 1.0
C B:CYS98 4.3 32.3 1.0
N B:CYS104 4.3 30.9 1.0
O B:HOH1324 4.3 33.1 1.0
CA B:CYS104 4.4 31.4 1.0
N B:CYS100 4.5 33.2 1.0
CB B:ALA97 4.6 30.9 1.0
C B:ALA97 4.6 31.9 1.0
CA B:GLY99 4.7 30.7 1.0
C B:CYS112 4.8 27.3 1.0
C B:CYS101 4.9 35.7 1.0
CA B:ALA97 4.9 31.1 1.0
C B:GLY99 5.0 31.9 1.0
N B:GLU113 5.0 28.9 1.0

Zinc binding site 5 out of 16 in 1llu

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Zinc binding site 5 out of 16 in the The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn343

b:18.0
occ:1.00
 O2 C:EDO1263 2.2 15.6 1.0
NE2 C:HIS67 2.2 15.4 1.0
SG C:CYS44 2.4 17.9 1.0
SG C:CYS154 2.5 15.7 1.0
CD2 C:HIS67 2.9 15.1 1.0
CB C:CYS44 3.3 14.7 1.0
C2 C:EDO1263 3.4 19.8 1.0
CE1 C:HIS67 3.4 17.0 1.0
CB C:CYS154 3.6 15.4 1.0
C5N C:NAD1252 3.7 18.1 1.0
OG1 C:THR46 3.8 17.4 1.0
CB C:THR46 3.9 14.3 1.0
C6N C:NAD1252 3.9 14.7 1.0
C4N C:NAD1252 4.1 15.2 1.0
CG C:HIS67 4.1 16.3 1.0
ND1 C:HIS67 4.3 16.8 1.0
CG2 C:THR46 4.6 12.6 1.0
C1 C:EDO1263 4.6 19.4 1.0
NH2 C:ARG337 4.6 17.0 1.0
CA C:CYS44 4.8 15.2 1.0
N1N C:NAD1252 4.9 16.1 1.0
CA C:CYS154 4.9 15.3 1.0
OE2 C:GLU68 4.9 22.9 1.0
N C:THR46 4.9 15.2 1.0

Zinc binding site 6 out of 16 in 1llu

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Zinc binding site 6 out of 16 in the The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn344

b:23.2
occ:1.00
 SG C:CYS112 2.4 18.0 1.0
SG C:CYS104 2.4 14.6 1.0
SG C:CYS98 2.5 23.1 1.0
SG C:CYS101 2.6 19.9 1.0
CB C:CYS112 3.3 15.5 1.0
CB C:CYS104 3.4 19.6 1.0
CB C:CYS101 3.5 23.7 1.0
CB C:CYS98 3.6 19.9 1.0
N C:CYS98 3.6 19.6 1.0
N C:GLY99 3.8 20.4 1.0
N C:CYS101 3.9 25.1 1.0
CA C:CYS98 4.0 20.0 1.0
CA C:CYS112 4.1 15.3 1.0
O C:HOH1298 4.2 21.0 1.0
N C:CYS104 4.3 19.0 1.0
C C:CYS98 4.3 19.7 1.0
CA C:CYS101 4.3 24.3 1.0
CA C:CYS104 4.4 20.0 1.0
O C:HOH1413 4.4 42.2 1.0
N C:CYS100 4.4 23.4 1.0
C C:ALA97 4.7 18.9 1.0
CB C:ALA97 4.7 17.6 1.0
CA C:GLY99 4.7 20.6 1.0
C C:CYS101 4.9 22.5 1.0
C C:CYS112 4.9 17.1 1.0
C C:GLY99 5.0 22.5 1.0

Zinc binding site 7 out of 16 in 1llu

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Zinc binding site 7 out of 16 in the The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn343

b:34.1
occ:1.00
 NE2 D:HIS67 2.1 31.1 1.0
O2 D:EDO1265 2.2 30.0 1.0
SG D:CYS44 2.4 35.1 1.0
SG D:CYS154 2.4 27.5 1.0
CD2 D:HIS67 3.0 32.2 1.0
CB D:CYS44 3.2 34.5 1.0
CE1 D:HIS67 3.2 32.0 1.0
C2 D:EDO1265 3.3 33.8 1.0
CB D:CYS154 3.5 23.6 1.0
C5N D:NAD1253 3.8 33.8 1.0
C4N D:NAD1253 4.0 34.1 1.0
CB D:THR46 4.0 37.4 1.0
CG D:HIS67 4.2 33.1 1.0
ND1 D:HIS67 4.2 33.5 1.0
C6N D:NAD1253 4.2 34.9 1.0
OG1 D:THR46 4.3 39.9 1.0
CG2 D:THR46 4.5 36.8 1.0
C1 D:EDO1265 4.6 35.2 1.0
NH2 D:ARG337 4.6 40.0 1.0
CA D:CYS44 4.6 34.9 1.0
CA D:CYS154 4.9 24.8 1.0
O D:HOH1278 4.9 25.9 1.0
N D:THR46 5.0 36.1 1.0
O1 D:EDO1265 5.0 36.7 1.0

Zinc binding site 8 out of 16 in 1llu

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Zinc binding site 8 out of 16 in the The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn344

b:29.4
occ:1.00
 SG D:CYS101 2.4 28.2 1.0
SG D:CYS104 2.5 25.3 1.0
SG D:CYS112 2.5 29.0 1.0
SG D:CYS98 2.5 30.9 1.0
CB D:CYS112 3.2 28.6 1.0
CB D:CYS104 3.3 29.9 1.0
CB D:CYS101 3.4 33.2 1.0
CB D:CYS98 3.6 32.6 1.0
N D:CYS98 3.6 32.0 1.0
N D:GLY99 3.7 31.0 1.0
N D:CYS101 3.9 35.2 1.0
CA D:CYS112 4.0 27.1 1.0
CA D:CYS98 4.0 32.4 1.0
CA D:CYS101 4.2 34.4 1.0
C D:CYS98 4.3 32.3 1.0
N D:CYS104 4.3 30.9 1.0
O D:HOH1331 4.3 33.1 1.0
CA D:CYS104 4.4 31.4 1.0
N D:CYS100 4.5 33.2 1.0
CB D:ALA97 4.6 30.9 1.0
C D:ALA97 4.6 31.9 1.0
CA D:GLY99 4.7 30.7 1.0
C D:CYS112 4.8 27.3 1.0
C D:CYS101 4.9 35.7 1.0
CA D:ALA97 4.9 31.1 1.0
C D:GLY99 5.0 31.9 1.0
N D:GLU113 5.0 28.9 1.0

Zinc binding site 9 out of 16 in 1llu

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Zinc binding site 9 out of 16 in the The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn343

b:18.0
occ:1.00
 O2 E:EDO1266 2.2 15.6 1.0
NE2 E:HIS67 2.2 15.4 1.0
SG E:CYS44 2.4 17.9 1.0
SG E:CYS154 2.5 15.7 1.0
CD2 E:HIS67 2.9 15.1 1.0
CB E:CYS44 3.3 14.7 1.0
C2 E:EDO1266 3.4 19.8 1.0
CE1 E:HIS67 3.4 17.0 1.0
CB E:CYS154 3.6 15.4 1.0
C5N E:NAD1254 3.7 18.1 1.0
OG1 E:THR46 3.8 17.4 1.0
CB E:THR46 3.9 14.3 1.0
C6N E:NAD1254 3.9 14.7 1.0
C4N E:NAD1254 4.1 15.2 1.0
CG E:HIS67 4.1 16.3 1.0
ND1 E:HIS67 4.3 16.8 1.0
CG2 E:THR46 4.6 12.6 1.0
C1 E:EDO1266 4.6 19.4 1.0
NH2 E:ARG337 4.6 17.0 1.0
CA E:CYS44 4.8 15.2 1.0
N1N E:NAD1254 4.9 16.1 1.0
CA E:CYS154 4.9 15.3 1.0
OE2 E:GLU68 4.9 22.9 1.0
N E:THR46 5.0 15.2 1.0

Zinc binding site 10 out of 16 in 1llu

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Zinc binding site 10 out of 16 in the The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Its Coenzyme and Weak Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn344

b:23.2
occ:1.00
 SG E:CYS112 2.4 18.0 1.0
SG E:CYS104 2.4 14.6 1.0
SG E:CYS98 2.5 23.1 1.0
SG E:CYS101 2.6 19.9 1.0
CB E:CYS112 3.3 15.5 1.0
CB E:CYS104 3.4 19.6 1.0
CB E:CYS101 3.5 23.7 1.0
CB E:CYS98 3.6 19.9 1.0
N E:CYS98 3.6 19.6 1.0
N E:GLY99 3.8 20.4 1.0
N E:CYS101 3.9 25.1 1.0
CA E:CYS98 4.0 20.0 1.0
CA E:CYS112 4.1 15.3 1.0
O E:HOH641 4.2 21.0 1.0
N E:CYS104 4.3 19.0 1.0
C E:CYS98 4.3 19.7 1.0
CA E:CYS101 4.3 24.3 1.0
CA E:CYS104 4.4 20.0 1.0
O E:HOH832 4.4 42.2 1.0
N E:CYS100 4.4 23.4 1.0
C E:ALA97 4.7 18.9 1.0
CB E:ALA97 4.7 17.6 1.0
CA E:GLY99 4.7 20.6 1.0
C E:CYS101 4.9 22.5 1.0
C E:CYS112 4.9 17.1 1.0
C E:GLY99 5.0 22.5 1.0

Reference:

I.Levin, G.Meiri, M.Peretz, Y.Burstein, F.Frolow. The Ternary Complex of Pseudomonas Aeruginosa Alcohol Dehydrogenase with Nadh and Ethylene Glycol. Protein Sci. V. 13 1547 2004.
ISSN: ISSN 0961-8368
PubMed: 15152088
DOI: 10.1110/PS.03531404
Page generated: Sun Oct 13 05:06:37 2024

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