Zinc in PDB 8h2a: Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila

All present enzymatic activity of Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila:
1.1.1.1;

The structure of Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila, PDB code: 8h2a was solved by S.Brott, U.T.Bornscheuer, K.H.Nam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.19 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	98.492, 157.204, 98.569, 90, 103.5, 90
R / Rfree (%)	22.5 / 27.8

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

Binding sites:

The binding sites of Zinc atom in the Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila (pdb code 8h2a). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 16 binding sites of Zinc where determined in the Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila, PDB code: 8h2a:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 16 in the Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:83.5 occ:1.00 O A:HOH527 1.9 35.0 1.0 NE2 A:HIS58 2.3 52.0 1.0 SG A:CYS169 2.3 44.7 1.0 SG A:CYS41 2.3 52.8 1.0 CE1 A:HIS58 3.1 46.3 1.0 CD2 A:HIS58 3.2 45.9 1.0 C5N A:NAD401 3.2 47.8 1.0 CB A:CYS41 3.2 44.7 1.0 OG1 A:THR43 3.4 49.7 1.0 CB A:THR43 3.7 42.9 1.0 CB A:CYS169 3.7 45.1 1.0 C6N A:NAD401 3.8 40.7 1.0 C4N A:NAD401 4.0 42.1 1.0 ND1 A:HIS58 4.2 48.5 1.0 CG A:HIS58 4.2 46.2 1.0 N A:THR43 4.6 48.1 1.0 CA A:CYS41 4.7 46.3 1.0 CG2 A:THR43 4.7 43.7 1.0 CA A:THR43 4.8 51.3 1.0 N1N A:NAD401 4.8 37.5 1.0 OE2 A:GLU59 5.0 44.4 1.0

Zinc binding site 2 out of 16 in the Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:61.6 occ:1.00 SG A:CYS102 2.3 40.1 1.0 SG A:CYS88 2.3 38.1 1.0 SG A:CYS91 2.3 50.5 1.0 SG A:CYS94 2.4 37.8 1.0 CB A:CYS94 3.3 43.9 1.0 CB A:CYS91 3.3 32.3 1.0 CB A:CYS102 3.5 43.4 1.0 CB A:CYS88 3.5 39.1 1.0 N A:CYS88 3.7 33.3 1.0 N A:MET89 3.7 40.8 1.0 N A:CYS91 3.7 38.4 1.0 CA A:CYS102 3.9 43.1 1.0 CA A:CYS88 3.9 36.6 1.0 C A:CYS88 4.1 41.8 1.0 CA A:CYS91 4.1 38.9 1.0 N A:CYS94 4.2 43.4 1.0 N A:GLU103 4.3 44.8 1.0 N A:THR90 4.3 38.9 1.0 CA A:CYS94 4.3 41.2 1.0 C A:CYS102 4.5 43.2 1.0 CA A:MET89 4.6 37.9 1.0 C A:MET89 4.7 42.0 1.0 C A:CYS91 4.7 40.9 1.0 C A:PRO87 4.8 38.4 1.0 O A:CYS91 4.9 40.6 1.0 C A:THR90 4.9 41.4 1.0 N A:SER104 5.0 47.0 1.0 O A:CYS88 5.0 46.7 1.0

Zinc binding site 3 out of 16 in the Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:68.5 occ:1.00 NE2 B:HIS58 2.2 38.8 1.0 SG B:CYS169 2.3 32.7 1.0 SG B:CYS41 2.3 39.4 1.0 O B:HOH517 2.9 37.2 1.0 CD2 B:HIS58 3.1 43.2 1.0 CB B:CYS41 3.2 44.3 1.0 CE1 B:HIS58 3.2 37.2 1.0 C5N B:NAD401 3.2 42.0 1.0 CB B:CYS169 3.4 43.9 1.0 OG1 B:THR43 3.6 41.0 1.0 C6N B:NAD401 3.9 45.9 1.0 C4N B:NAD401 3.9 47.3 1.0 CB B:THR43 4.2 43.7 1.0 ND1 B:HIS58 4.3 37.4 1.0 CG B:HIS58 4.3 40.1 1.0 O B:HOH530 4.4 37.8 1.0 CA B:CYS41 4.7 44.1 1.0 CA B:CYS169 4.7 38.4 1.0 NE1 B:TRP84 4.8 43.4 1.0 N B:THR43 4.9 39.2 1.0 N1N B:NAD401 4.9 47.2 1.0 C3N B:NAD401 5.0 40.7 1.0

Zinc binding site 4 out of 16 in the Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:56.5 occ:1.00 SG B:CYS88 2.3 52.1 1.0 SG B:CYS94 2.3 39.0 1.0 SG B:CYS102 2.4 46.4 1.0 SG B:CYS91 2.4 42.5 1.0 CB B:CYS91 3.3 33.4 1.0 CB B:CYS102 3.4 44.0 1.0 CB B:CYS94 3.5 37.8 1.0 CB B:CYS88 3.5 37.8 1.0 N B:CYS88 3.7 43.1 1.0 N B:CYS91 3.7 39.5 1.0 CA B:CYS102 3.8 42.5 1.0 N B:MET89 3.9 45.0 1.0 CA B:CYS88 4.0 43.0 1.0 CA B:CYS91 4.1 37.6 1.0 N B:GLU103 4.1 42.7 1.0 C B:CYS88 4.2 40.2 1.0 N B:CYS94 4.3 44.1 1.0 C B:CYS102 4.3 40.0 1.0 N B:THR90 4.4 43.9 1.0 N B:SER104 4.5 45.5 1.0 CA B:CYS94 4.5 42.0 1.0 C B:CYS91 4.7 44.3 1.0 CA B:MET89 4.8 39.1 1.0 CB B:SER104 4.8 41.3 1.0 C B:PRO87 4.8 39.5 1.0 C B:THR90 4.9 44.5 1.0 O B:CYS91 4.9 43.1 1.0

Zinc binding site 5 out of 16 in the Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn402 b:71.6 occ:1.00 SG C:CYS169 2.3 49.6 1.0 NE2 C:HIS58 2.3 53.4 1.0 SG C:CYS41 2.3 69.5 1.0 C5N C:NAD401 3.1 53.8 1.0 CD2 C:HIS58 3.1 53.2 1.0 CB C:CYS41 3.3 66.2 1.0 CE1 C:HIS58 3.3 51.6 1.0 CB C:CYS169 3.6 49.8 1.0 C4N C:NAD401 3.8 50.3 1.0 C6N C:NAD401 3.9 53.9 1.0 OG1 C:THR43 4.2 60.4 1.0 CG C:HIS58 4.3 56.4 1.0 ND1 C:HIS58 4.4 55.5 1.0 CB C:THR43 4.5 54.1 1.0 OE2 C:GLU59 4.6 58.0 1.0 CA C:CYS41 4.7 63.8 1.0 CA C:CYS169 4.9 50.8 1.0 NE1 C:TRP84 4.9 43.4 1.0 C3N C:NAD401 4.9 47.7 1.0 N1N C:NAD401 5.0 52.3 1.0 N C:THR43 5.0 60.5 1.0

Zinc binding site 6 out of 16 in the Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn403 b:57.4 occ:1.00 SG C:CYS91 2.3 42.9 1.0 SG C:CYS94 2.3 43.1 1.0 SG C:CYS88 2.4 45.4 1.0 SG C:CYS102 2.4 41.4 1.0 CB C:CYS94 3.4 40.9 1.0 CB C:CYS88 3.5 34.9 1.0 CB C:CYS91 3.5 34.8 1.0 CB C:CYS102 3.5 43.9 1.0 N C:CYS88 3.6 45.1 1.0 N C:MET89 3.8 37.5 1.0 N C:CYS91 3.8 38.3 1.0 CA C:CYS102 3.9 45.9 1.0 CA C:CYS88 3.9 44.0 1.0 C C:CYS88 4.2 43.1 1.0 CA C:CYS91 4.2 39.5 1.0 N C:GLU103 4.2 46.2 1.0 N C:THR90 4.3 35.1 1.0 N C:CYS94 4.4 39.7 1.0 C C:CYS102 4.4 48.9 1.0 CA C:CYS94 4.5 41.2 1.0 CA C:MET89 4.7 35.4 1.0 N C:SER104 4.7 49.8 1.0 C C:PRO87 4.8 44.6 1.0 C C:CYS91 4.9 35.5 1.0 C C:MET89 4.9 42.5 1.0 C C:THR90 4.9 43.0 1.0

Zinc binding site 7 out of 16 in the Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn402 b:71.2 occ:1.00 NE2 D:HIS58 2.3 60.1 1.0 SG D:CYS41 2.3 86.1 1.0 SG D:CYS169 2.3 51.7 1.0 OE1 D:GLU59 2.6 58.4 1.0 CB D:CYS41 2.8 59.3 1.0 CD2 D:HIS58 3.2 57.6 1.0 CD D:GLU59 3.3 60.5 1.0 CB D:CYS169 3.3 44.3 1.0 CE1 D:HIS58 3.3 57.0 1.0 O D:HOH516 3.8 38.6 1.0 OE2 D:GLU59 3.9 62.7 1.0 CG D:GLU59 4.0 54.0 1.0 CA D:CYS41 4.2 61.4 1.0 CG D:HIS58 4.3 57.3 1.0 ND1 D:HIS58 4.3 56.3 1.0 N D:CYS41 4.6 63.8 1.0 CA D:CYS169 4.7 43.2 1.0 N D:GLY170 4.8 44.8 1.0 O D:LEU40 4.8 60.4 1.0 C D:LEU40 4.9 61.9 1.0 C5N D:NAD401 4.9 44.9 1.0

Zinc binding site 8 out of 16 in the Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn403 b:53.5 occ:1.00 SG D:CYS88 2.3 42.6 1.0 SG D:CYS102 2.3 41.6 1.0 SG D:CYS91 2.3 42.7 1.0 SG D:CYS94 2.4 40.7 1.0 CB D:CYS94 3.2 47.6 1.0 CB D:CYS91 3.3 40.9 1.0 CB D:CYS102 3.4 42.5 1.0 CB D:CYS88 3.5 42.4 1.0 N D:MET89 3.5 37.6 1.0 N D:CYS91 3.6 44.8 1.0 N D:CYS88 3.6 43.8 1.0 CA D:CYS88 3.9 41.8 1.0 CA D:CYS102 3.9 40.1 1.0 CA D:CYS91 4.0 43.0 1.0 C D:CYS88 4.0 43.2 1.0 N D:THR90 4.1 38.6 1.0 N D:CYS94 4.2 39.0 1.0 CA D:CYS94 4.3 45.0 1.0 N D:GLU103 4.5 41.4 1.0 CA D:MET89 4.5 36.9 1.0 C D:CYS91 4.6 43.7 1.0 C D:CYS102 4.6 41.2 1.0 O D:CYS91 4.7 39.9 1.0 C D:MET89 4.7 43.0 1.0 C D:PRO87 4.7 42.5 1.0 C D:THR90 4.7 44.8 1.0 O D:CYS88 5.0 42.7 1.0 N D:SER104 5.0 40.3 1.0

Zinc binding site 9 out of 16 in the Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn402 b:79.0 occ:1.00 NE2 E:HIS58 2.3 43.9 1.0 SG E:CYS169 2.3 45.7 1.0 SG E:CYS41 2.3 58.1 1.0 O E:HOH527 2.4 41.0 1.0 C5N E:NAD401 3.1 40.8 1.0 CD2 E:HIS58 3.2 42.9 1.0 CE1 E:HIS58 3.2 50.3 1.0 CB E:CYS41 3.5 39.6 1.0 C4N E:NAD401 3.6 47.1 1.0 OG1 E:THR43 3.6 46.6 1.0 CB E:CYS169 3.7 42.9 1.0 C6N E:NAD401 3.8 47.8 1.0 CB E:THR43 4.1 39.7 1.0 ND1 E:HIS58 4.3 47.5 1.0 CG E:HIS58 4.3 50.2 1.0 C3N E:NAD401 4.5 49.3 1.0 N1N E:NAD401 4.7 50.6 1.0 O E:HOH518 4.9 31.8 1.0 CA E:CYS41 4.9 45.1 1.0 CG2 E:THR43 4.9 36.1 1.0 N E:THR43 5.0 44.3 1.0 OE2 E:GLU59 5.0 41.0 1.0

Zinc binding site 10 out of 16 in the Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn403 b:53.6 occ:1.00 SG E:CYS102 2.3 43.3 1.0 SG E:CYS88 2.3 44.7 1.0 SG E:CYS94 2.4 43.0 1.0 SG E:CYS91 2.4 39.1 1.0 CB E:CYS102 3.2 41.1 1.0 CB E:CYS94 3.3 38.2 1.0 CB E:CYS88 3.4 34.9 1.0 CB E:CYS91 3.4 26.9 1.0 N E:CYS88 3.5 34.3 1.0 CA E:CYS102 3.7 42.4 1.0 N E:MET89 3.8 37.7 1.0 N E:CYS91 3.8 31.1 1.0 CA E:CYS88 3.8 32.8 1.0 C E:CYS88 4.1 39.3 1.0 CA E:CYS91 4.2 34.4 1.0 N E:CYS94 4.2 44.8 1.0 N E:GLU103 4.3 36.8 1.0 C E:CYS102 4.3 39.1 1.0 CA E:CYS94 4.3 41.4 1.0 N E:THR90 4.4 39.8 1.0 C E:PRO87 4.6 40.0 1.0 N E:SER104 4.7 48.9 1.0 CA E:MET89 4.8 37.2 1.0 CB E:SER104 4.8 53.3 1.0 C E:CYS91 4.9 41.0 1.0 CA E:PRO87 4.9 40.2 1.0 OG E:SER104 5.0 53.0 1.0 C E:THR90 5.0 33.7 1.0 N E:CYS102 5.0 39.5 1.0

S.Brott, U.T.Bornscheuer, K.H.Nam. Crystal Structure of Alcohol Dehydrogenase From Formosa Agariphila To Be Published.