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Zinc in PDB 4z6k: Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123

Enzymatic activity of Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123

All present enzymatic activity of Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123:
1.1.1.1;

Protein crystallography data

The structure of Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123, PDB code: 4z6k was solved by Y.Papanikolau, V.Bouriotis, K.Petratos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 118.34 / 1.90
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 136.573, 136.573, 210.832, 90.00, 90.00, 120.00
R / Rfree (%) 21 / 23.3

Zinc Binding Sites:

The binding sites of Zinc atom in the Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123 (pdb code 4z6k). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 10 binding sites of Zinc where determined in the Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123, PDB code: 4z6k:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 10 in 4z6k

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Zinc binding site 1 out of 10 in the Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:53.5
occ:1.00
 NE2 A:HIS61 2.2 53.4 1.0
SG A:CYS38 2.3 60.6 1.0
SG A:CYS148 2.4 57.1 1.0
OE1 A:GLU62 2.6 58.7 1.0
CD2 A:HIS61 3.0 52.9 1.0
CB A:CYS38 3.1 54.6 1.0
CE1 A:HIS61 3.3 54.1 1.0
CB A:CYS148 3.3 52.1 1.0
NH1 A:ARG331 3.5 60.7 1.0
CD A:GLU62 3.7 58.0 1.0
CG A:GLU62 4.1 54.0 1.0
O A:HOH555 4.1 44.9 1.0
CG A:HIS61 4.2 50.4 1.0
ND1 A:HIS61 4.3 48.8 1.0
CA A:CYS38 4.3 61.7 1.0
N A:CYS38 4.4 58.5 1.0
CZ A:ARG331 4.5 61.5 1.0
CB A:THR40 4.6 51.8 1.0
OD1 A:ASP41 4.6 59.9 1.0
OE2 A:GLU62 4.7 52.9 1.0
CA A:CYS148 4.7 48.3 1.0
NH2 A:ARG331 4.9 62.9 1.0
O A:HOH695 5.0 50.5 1.0
OG1 A:THR40 5.0 55.8 1.0
C A:VAL37 5.0 56.1 1.0

Zinc binding site 2 out of 10 in 4z6k

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Zinc binding site 2 out of 10 in the Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn402

b:43.0
occ:1.00
 SG A:CYS92 2.2 46.5 1.0
SG A:CYS98 2.3 42.8 1.0
SG A:CYS95 2.4 46.0 1.0
SG A:CYS106 2.4 44.7 1.0
CB A:CYS106 3.1 42.6 1.0
CB A:CYS95 3.3 48.7 1.0
CB A:CYS98 3.4 44.6 1.0
N A:CYS92 3.5 45.2 1.0
CB A:CYS92 3.5 46.5 1.0
N A:CYS95 3.9 50.8 1.0
N A:GLY93 3.9 49.6 1.0
CA A:CYS92 3.9 45.5 1.0
CA A:CYS106 4.1 43.9 1.0
O A:HOH583 4.1 38.2 1.0
N A:CYS98 4.2 43.5 1.0
CA A:CYS95 4.2 51.5 1.0
N A:HIS94 4.4 48.5 0.5
C A:CYS92 4.4 50.4 1.0
CA A:CYS98 4.4 45.1 1.0
N A:HIS94 4.4 48.6 0.5
O A:HOH544 4.4 63.7 1.0
C A:ALA91 4.6 45.4 1.0
CB A:ALA91 4.7 44.6 1.0
CA A:GLY93 4.8 46.0 1.0
OG A:SER108 4.9 53.2 1.0
C A:CYS95 4.9 48.1 1.0
C A:CYS106 4.9 44.7 1.0
O A:CYS95 4.9 47.0 1.0

Zinc binding site 3 out of 10 in 4z6k

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Zinc binding site 3 out of 10 in the Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn401

b:54.7
occ:1.00
 SG B:CYS38 2.1 54.8 1.0
SG B:CYS148 2.3 54.2 1.0
NE2 B:HIS61 2.4 46.6 1.0
O B:HOH501 2.5 43.5 1.0
OE1 B:GLU62 2.7 67.4 1.0
CB B:CYS38 3.0 53.5 1.0
CD2 B:HIS61 3.1 49.2 1.0
CE1 B:HIS61 3.3 60.0 1.0
CB B:CYS148 3.3 58.0 1.0
NH1 B:ARG331 3.5 55.3 1.0
CD B:GLU62 3.7 58.5 1.0
O B:HOH530 4.1 38.2 1.0
CG B:GLU62 4.1 58.3 1.0
CA B:CYS38 4.1 60.0 1.0
N B:CYS38 4.2 56.2 1.0
CG B:HIS61 4.3 48.7 1.0
ND1 B:HIS61 4.3 53.0 1.0
OD1 B:ASP41 4.6 48.9 1.0
CZ B:ARG331 4.6 56.8 1.0
CB B:THR40 4.6 47.0 1.0
OE2 B:GLU62 4.8 58.6 1.0
CA B:CYS148 4.8 50.6 1.0
C B:VAL37 4.8 56.3 1.0
C B:CYS38 4.9 56.7 1.0
NH2 B:ARG331 4.9 57.4 1.0
OG1 B:THR40 5.0 50.9 1.0

Zinc binding site 4 out of 10 in 4z6k

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Zinc binding site 4 out of 10 in the Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn402

b:41.2
occ:1.00
 SG B:CYS95 2.3 46.1 1.0
SG B:CYS106 2.4 41.5 1.0
SG B:CYS98 2.4 45.5 1.0
SG B:CYS92 2.4 44.9 1.0
CB B:CYS106 3.0 37.1 1.0
CB B:CYS95 3.3 44.7 1.0
CB B:CYS92 3.4 43.9 1.0
CB B:CYS98 3.5 46.0 1.0
N B:CYS92 3.6 43.6 1.0
N B:GLY93 3.9 44.8 1.0
N B:CYS95 3.9 47.0 1.0
CA B:CYS92 3.9 43.5 1.0
CA B:CYS106 4.0 38.8 1.0
O B:HOH601 4.1 40.9 1.0
N B:CYS98 4.2 41.9 1.0
O B:HOH594 4.2 50.7 1.0
CA B:CYS95 4.3 46.2 1.0
C B:CYS92 4.3 45.5 1.0
CA B:CYS98 4.4 43.3 1.0
N B:HIS94 4.5 47.1 1.0
C B:ALA91 4.6 46.9 1.0
CA B:GLY93 4.7 45.5 1.0
CB B:ALA91 4.7 43.4 1.0
C B:CYS106 4.9 43.9 1.0
OG B:SER108 4.9 51.9 1.0
C B:CYS95 4.9 45.4 1.0
O B:CYS95 5.0 50.1 1.0
N B:GLU107 5.0 43.0 1.0

Zinc binding site 5 out of 10 in 4z6k

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Zinc binding site 5 out of 10 in the Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn403

b:50.4
occ:1.00
 OE2 B:GLU16 1.8 44.3 1.0
NE2 B:HIS7 2.0 48.3 1.0
CD B:GLU16 2.6 47.5 1.0
CE1 B:HIS7 2.7 54.2 1.0
OE1 B:GLU16 2.7 46.5 1.0
CD2 B:HIS7 3.2 56.1 1.0
O B:HOH549 3.9 40.7 1.0
ND1 B:HIS7 4.0 51.6 1.0
CG B:GLU16 4.1 48.3 1.0
CG1 B:VAL5 4.1 51.9 1.0
CG B:HIS7 4.2 55.9 1.0
CB B:VAL5 4.4 47.3 1.0
CG2 B:VAL5 4.7 46.8 1.0
OE1 B:GLN14 4.9 56.8 1.0

Zinc binding site 6 out of 10 in 4z6k

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Zinc binding site 6 out of 10 in the Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn401

b:56.2
occ:1.00
 NE2 C:HIS61 2.2 55.5 1.0
SG C:CYS38 2.2 59.1 1.0
SG C:CYS148 2.4 65.5 1.0
OE1 C:GLU62 2.7 56.3 1.0
CD2 C:HIS61 3.0 48.9 1.0
CB C:CYS38 3.2 61.0 1.0
CE1 C:HIS61 3.2 61.6 1.0
CB C:CYS148 3.3 61.6 1.0
NH1 C:ARG331 3.5 69.4 1.0
CD C:GLU62 3.7 64.8 1.0
CG C:GLU62 4.1 62.6 1.0
O C:HOH504 4.1 47.1 1.0
CG C:HIS61 4.2 50.4 1.0
ND1 C:HIS61 4.3 55.4 1.0
O C:HOH693 4.3 56.8 1.0
CA C:CYS38 4.3 61.8 1.0
N C:CYS38 4.5 64.0 1.0
CZ C:ARG331 4.6 70.2 1.0
CB C:THR40 4.6 56.1 1.0
OD1 C:ASP41 4.6 59.1 1.0
CA C:CYS148 4.7 53.2 1.0
OE2 C:GLU62 4.8 62.9 1.0
NH2 C:ARG331 4.9 70.6 1.0
O C:HOH676 5.0 53.4 1.0
OG1 C:THR40 5.0 56.2 1.0

Zinc binding site 7 out of 10 in 4z6k

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Zinc binding site 7 out of 10 in the Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn402

b:44.2
occ:1.00
 SG C:CYS92 2.2 47.5 1.0
SG C:CYS98 2.3 46.5 1.0
SG C:CYS106 2.3 48.6 1.0
SG C:CYS95 2.4 43.2 1.0
CB C:CYS106 3.1 45.2 1.0
CB C:CYS95 3.4 50.1 1.0
CB C:CYS92 3.4 45.3 1.0
CB C:CYS98 3.5 48.0 1.0
N C:CYS92 3.5 50.0 1.0
N C:GLY93 3.9 45.6 1.0
CA C:CYS92 3.9 48.4 1.0
N C:CYS95 3.9 49.4 1.0
CA C:CYS106 4.0 46.5 1.0
O C:HOH626 4.0 41.2 1.0
O C:HOH529 4.1 59.6 1.0
N C:CYS98 4.2 45.5 1.0
CA C:CYS95 4.3 49.2 1.0
C C:CYS92 4.4 48.6 1.0
N C:HIS94 4.4 50.4 1.0
CA C:CYS98 4.4 45.2 1.0
C C:ALA91 4.6 46.3 1.0
CB C:ALA91 4.7 43.5 1.0
C C:CYS106 4.8 48.6 1.0
CA C:GLY93 4.8 46.8 1.0
OG C:SER108 4.8 56.7 1.0
N C:GLU107 4.9 48.3 1.0
C C:CYS95 4.9 47.9 1.0
O C:CYS95 5.0 47.2 1.0

Zinc binding site 8 out of 10 in 4z6k

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Zinc binding site 8 out of 10 in the Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn401

b:57.8
occ:1.00
 SG D:CYS38 2.2 65.4 1.0
SG D:CYS148 2.3 66.5 1.0
NE2 D:HIS61 2.4 60.4 1.0
OE1 D:GLU62 2.6 70.6 1.0
CB D:CYS38 3.0 58.4 1.0
CD2 D:HIS61 3.1 50.0 1.0
CB D:CYS148 3.2 66.0 1.0
CE1 D:HIS61 3.3 55.7 1.0
NH1 D:ARG331 3.5 57.4 1.0
CD D:GLU62 3.6 67.0 1.0
CG D:GLU62 4.1 54.9 1.0
O D:HOH512 4.1 43.7 1.0
O D:HOH681 4.2 57.9 1.0
CA D:CYS38 4.2 63.5 1.0
CG D:HIS61 4.3 49.6 1.0
N D:CYS38 4.3 59.4 1.0
ND1 D:HIS61 4.3 58.2 1.0
CZ D:ARG331 4.6 68.7 1.0
OD1 D:ASP41 4.6 58.7 1.0
CB D:THR40 4.7 53.1 1.0
OE2 D:GLU62 4.7 52.8 1.0
CA D:CYS148 4.7 50.6 1.0
C D:VAL37 4.9 61.3 1.0
NH2 D:ARG331 4.9 64.0 1.0
C D:CYS38 5.0 61.6 1.0
OG1 D:THR40 5.0 54.8 1.0

Zinc binding site 9 out of 10 in 4z6k

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Zinc binding site 9 out of 10 in the Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn402

b:40.1
occ:1.00
 SG D:CYS95 2.3 47.8 1.0
SG D:CYS98 2.4 43.8 1.0
SG D:CYS106 2.4 41.7 1.0
SG D:CYS92 2.4 45.5 1.0
CB D:CYS106 3.0 38.6 1.0
CB D:CYS95 3.4 42.9 1.0
CB D:CYS98 3.5 40.9 1.0
CB D:CYS92 3.5 39.7 1.0
N D:CYS92 3.5 40.9 1.0
N D:GLY93 3.8 41.3 1.0
CA D:CYS92 3.9 44.8 1.0
N D:CYS95 4.0 46.0 1.0
CA D:CYS106 4.0 43.4 1.0
O D:HOH603 4.0 37.3 1.0
O D:HOH558 4.2 57.0 1.0
N D:CYS98 4.2 41.4 1.0
CA D:CYS95 4.3 42.5 1.0
C D:CYS92 4.3 44.2 1.0
N D:HIS94 4.4 47.1 0.5
CA D:CYS98 4.4 41.7 1.0
N D:HIS94 4.4 45.6 0.5
C D:ALA91 4.6 45.9 1.0
CB D:ALA91 4.7 46.6 1.0
CA D:GLY93 4.7 43.5 1.0
C D:CYS106 4.9 45.5 1.0
OG D:SER108 4.9 46.9 1.0
C D:CYS95 5.0 42.2 1.0
O D:CYS95 5.0 39.5 1.0
N D:GLU107 5.0 43.6 1.0
C D:GLY93 5.0 45.6 1.0

Zinc binding site 10 out of 10 in 4z6k

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Zinc binding site 10 out of 10 in the Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. Tae 123 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn403

b:59.2
occ:1.00
 NE2 D:HIS7 1.8 60.5 1.0
OE2 D:GLU16 1.9 53.4 1.0
CE1 D:HIS7 2.6 67.9 1.0
CD D:GLU16 2.6 62.9 1.0
OE1 D:GLU16 2.8 68.0 1.0
CD2 D:HIS7 3.0 65.6 1.0
O D:HOH521 3.7 47.0 1.0
ND1 D:HIS7 3.8 64.7 1.0
CG D:HIS7 4.0 67.9 1.0
CG1 D:VAL5 4.1 58.8 1.0
CG D:GLU16 4.2 62.2 1.0
CB D:VAL5 4.5 58.2 1.0
CG2 D:VAL5 4.9 56.5 1.0
OE1 D:GLN14 5.0 63.4 1.0

Reference:

Y.Papanikolau, I.Tsigos, M.Papadovasilaki, V.Bouriotis, K.Petratos. Structure of Alcohol Dehydrogenase From the Antarctic Psychrophile Moraxella Sp. TAE123 To Be Published.
Page generated: Sun Oct 27 11:38:39 2024

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