Zinc in PDB 8uas: Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A

The structure of Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A, PDB code: 8uas was solved by L.A.Wilson, L.W.Guddat, G.Schenk, C.Scott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.22 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	78.144, 157.745, 272.429, 90, 91.06, 90
R / Rfree (%)	18.2 / 21

The structure of Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A also contains other interesting chemical elements:

Silicon	(Si)	10 atoms
Sodium	(Na)	4 atoms

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>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 26;

Binding sites:

The binding sites of Zinc atom in the Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A (pdb code 8uas). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 26 binding sites of Zinc where determined in the Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A, PDB code: 8uas:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 26 in the Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:31.4 occ:1.00 SG A:CYS106 2.3 25.2 1.0 SG A:CYS95 2.3 23.7 1.0 SG A:CYS98 2.4 26.6 1.0 SG A:CYS92 2.4 25.0 1.0 H A:CYS92 2.7 34.0 1.0 H A:CYS95 2.9 33.4 1.0 HB2 A:CYS106 3.0 27.2 1.0 HB2 A:CYS98 3.1 38.0 1.0 CB A:CYS106 3.1 22.6 1.0 H A:GLY93 3.2 38.3 1.0 HA A:CYS106 3.2 32.4 1.0 HB3 A:CYS95 3.3 34.5 1.0 CB A:CYS98 3.4 31.6 1.0 CB A:CYS95 3.4 28.7 1.0 N A:CYS92 3.4 28.3 1.0 CB A:CYS92 3.5 28.0 1.0 HB3 A:CYS92 3.5 33.7 1.0 H A:ALA94 3.6 36.4 1.0 H A:CYS98 3.7 35.7 1.0 CA A:CYS106 3.7 26.9 1.0 N A:CYS95 3.7 27.7 1.0 H A:ARG108 3.7 35.1 1.0 HB2 A:ARG108 3.8 36.1 1.0 H A:THR107 3.8 36.2 1.0 N A:GLY93 3.8 31.8 1.0 CA A:CYS92 3.9 27.9 1.0 HB3 A:CYS106 4.0 27.2 1.0 HB3 A:CYS98 4.0 38.0 1.0 CA A:CYS95 4.1 30.0 1.0 HB2 A:CYS95 4.2 34.5 1.0 C A:CYS92 4.2 32.6 1.0 HA3 A:GLY91 4.2 36.8 1.0 N A:THR107 4.2 30.1 1.0 N A:ALA94 4.3 30.3 1.0 N A:CYS98 4.3 29.7 1.0 C A:CYS106 4.3 24.7 1.0 HB2 A:CYS92 4.3 33.7 1.0 CA A:CYS98 4.4 32.8 1.0 C A:GLY91 4.5 30.4 1.0 N A:ARG108 4.5 29.1 1.0 HE A:ARG108 4.6 65.8 1.0 HG3 A:ARG108 4.6 40.4 1.0 HB3 A:ALA97 4.7 29.5 1.0 CB A:ARG108 4.7 30.0 1.0 CA A:GLY93 4.7 28.6 1.0 H A:ALA109 4.7 32.6 1.0 HA A:CYS98 4.7 39.4 1.0 CA A:GLY91 4.7 30.6 1.0 HA2 A:GLY91 4.8 36.8 1.0 HA A:CYS92 4.8 33.6 1.0 C A:CYS95 4.8 26.1 1.0 HA2 A:GLY93 4.8 34.4 1.0 C A:ALA94 4.9 29.9 1.0 HA A:GLU103 4.9 34.9 1.0 C A:GLY93 4.9 28.6 1.0 HA A:CYS95 4.9 36.0 1.0 O A:CYS95 4.9 29.1 1.0 N A:CYS106 5.0 21.6 1.0

Zinc binding site 2 out of 26 in the Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:28.8 occ:0.61 ZN A:ZN403 0.0 28.8 0.6 OD2 A:ASP153 1.9 33.7 1.0 ZN A:ZN403 2.0 35.1 0.4 NE2 A:HIS62 2.1 33.1 1.0 SG A:CYS38 2.5 34.4 1.0 CD2 A:HIS62 2.9 31.4 1.0 CG A:ASP153 3.0 29.9 1.0 HD2 A:HIS62 3.0 37.8 1.0 CE1 A:HIS62 3.1 34.5 1.0 HB2 A:SER40 3.2 44.9 1.0 HB2 A:CYS38 3.4 41.0 1.0 CB A:CYS38 3.4 34.1 1.0 HE1 A:HIS62 3.4 41.5 1.0 HB3 A:CYS38 3.4 41.0 1.0 OD1 A:ASP153 3.6 31.7 1.0 HH22 A:ARG340 3.9 42.4 1.0 CB A:SER40 4.0 37.3 1.0 CB A:ASP153 4.1 29.4 1.0 CG A:HIS62 4.1 31.1 1.0 ND1 A:HIS62 4.2 34.3 1.0 HB3 A:ASP153 4.2 35.4 1.0 HB2 A:ASP153 4.2 35.4 1.0 OG A:SER40 4.3 47.2 1.0 HB3 A:SER40 4.3 44.9 1.0 HG A:SER40 4.4 56.8 1.0 H A:SER40 4.4 45.0 1.0 HH21 A:ARG340 4.4 42.4 1.0 NH2 A:ARG340 4.5 35.3 1.0 HG3 A:GLU63 4.5 40.6 1.0 HD11 A:LEU119 4.7 37.2 1.0 CA A:CYS38 4.9 37.1 1.0 HD1 A:HIS62 5.0 41.3 1.0

Zinc binding site 3 out of 26 in the Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:35.1 occ:0.39 ZN A:ZN403 0.0 35.1 0.4 OD2 A:ASP153 1.8 33.7 1.0 HB2 A:CYS38 1.9 41.0 1.0 ZN A:ZN403 2.0 28.8 0.6 SG A:CYS38 2.3 34.4 1.0 CB A:CYS38 2.4 34.1 1.0 NE2 A:HIS62 2.5 33.1 1.0 HH22 A:ARG340 2.8 42.4 1.0 HB3 A:CYS38 2.8 41.0 1.0 HH21 A:ARG340 2.8 42.4 1.0 CG A:ASP153 3.0 29.9 1.0 HG3 A:GLU63 3.0 40.6 1.0 NH2 A:ARG340 3.0 35.3 1.0 HB3 A:ASP153 3.1 35.4 1.0 CD2 A:HIS62 3.1 31.4 1.0 HD2 A:HIS62 3.2 37.8 1.0 CE1 A:HIS62 3.5 34.5 1.0 CB A:ASP153 3.5 29.4 1.0 HE1 A:HIS62 3.8 41.5 1.0 HB2 A:ASP153 3.8 35.4 1.0 CA A:CYS38 3.8 37.1 1.0 CG A:GLU63 3.8 33.8 1.0 OE2 A:GLU63 3.9 35.2 1.0 HA A:CYS38 3.9 44.6 1.0 CD A:GLU63 3.9 31.4 1.0 OD1 A:ASP153 4.0 31.7 1.0 CZ A:ARG340 4.1 38.3 1.0 HG2 A:GLU63 4.1 40.6 1.0 CG A:HIS62 4.3 31.1 1.0 HB2 A:SER40 4.3 44.9 1.0 ND1 A:HIS62 4.4 34.3 1.0 N A:CYS38 4.5 35.4 1.0 O A:HOH624 4.5 28.4 1.0 OE1 A:GLU63 4.7 33.0 1.0 HE A:ARG340 4.7 42.6 1.0 HH12 A:ARG340 4.7 47.5 1.0 HD11 A:LEU183 4.8 37.6 1.0 HB2 A:GLU63 4.8 32.5 1.0 H A:CYS38 4.8 42.6 1.0 H A:SER40 4.8 45.0 1.0 C A:CYS38 4.8 39.6 1.0 NH1 A:ARG340 4.8 39.5 1.0 NE A:ARG340 4.9 35.4 1.0 CA A:ASP153 4.9 25.3 1.0 CB A:GLU63 5.0 27.0 1.0

Zinc binding site 4 out of 26 in the Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn501 b:35.6 occ:1.00 SG B:CYS95 2.2 39.2 1.0 SG B:CYS98 2.3 35.5 1.0 SG B:CYS106 2.3 33.1 1.0 SG B:CYS92 2.5 34.8 1.0 H B:CYS92 2.8 41.1 1.0 H B:CYS95 2.9 44.1 1.0 H B:GLY93 3.2 44.9 1.0 HB2 B:CYS106 3.2 41.6 1.0 HB2 B:CYS98 3.2 43.2 1.0 CB B:CYS106 3.2 34.6 1.0 HA B:CYS106 3.3 36.9 1.0 HB3 B:CYS95 3.3 50.0 1.0 CB B:CYS95 3.4 41.6 1.0 CB B:CYS98 3.4 35.9 1.0 N B:CYS92 3.5 34.2 1.0 CB B:CYS92 3.5 40.9 1.0 HB3 B:CYS92 3.5 49.2 1.0 H B:ALA94 3.5 44.2 1.0 N B:CYS95 3.7 36.6 1.0 H B:CYS98 3.7 41.1 1.0 N B:GLY93 3.7 37.4 1.0 CA B:CYS106 3.8 30.7 1.0 H B:THR107 3.8 39.6 1.0 HB2 B:ARG108 3.9 47.4 1.0 CA B:CYS92 3.9 37.8 1.0 H B:ARG108 3.9 45.8 1.0 HB3 B:CYS98 4.0 43.2 1.0 CA B:CYS95 4.1 39.3 1.0 HB3 B:CYS106 4.1 41.6 1.0 HB2 B:CYS95 4.2 50.0 1.0 C B:CYS92 4.2 37.5 1.0 HA3 B:GLY91 4.2 45.4 1.0 N B:ALA94 4.2 36.8 1.0 N B:THR107 4.3 33.0 1.0 N B:CYS98 4.3 34.2 1.0 HB2 B:CYS92 4.4 49.2 1.0 C B:CYS106 4.4 32.0 1.0 CA B:CYS98 4.4 36.2 1.0 C B:GLY91 4.5 35.3 1.0 N B:ARG108 4.6 38.1 1.0 HB3 B:ALA97 4.6 41.0 1.0 CA B:GLY93 4.7 38.0 1.0 CA B:GLY91 4.7 37.8 1.0 HA B:CYS98 4.7 43.5 1.0 C B:CYS95 4.8 30.9 1.0 HG2 B:GLU103 4.8 51.2 1.0 C B:ALA94 4.8 41.4 1.0 HA2 B:GLY93 4.8 45.7 1.0 HA2 B:GLY91 4.8 45.4 1.0 CB B:ARG108 4.8 39.4 1.0 HA B:CYS92 4.8 45.4 1.0 H B:ALA109 4.8 50.0 1.0 C B:GLY93 4.9 36.2 1.0 HA B:CYS95 4.9 47.2 1.0 O B:CYS95 4.9 35.0 1.0

Zinc binding site 5 out of 26 in the Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn502 b:38.4 occ:0.67 ZN B:ZN502 0.0 38.4 0.7 OD2 B:ASP153 1.8 46.5 1.0 NE2 B:HIS62 2.1 47.9 1.0 SG B:CYS38 2.4 47.2 1.0 ZN B:ZN502 2.8 62.9 0.3 HG B:SER40 2.8 70.3 1.0 CG B:ASP153 2.9 39.2 1.0 CD2 B:HIS62 3.0 43.2 1.0 HD2 B:HIS62 3.1 52.0 1.0 CE1 B:HIS62 3.2 45.2 1.0 HB2 B:CYS38 3.2 61.1 1.0 OG B:SER40 3.2 58.5 1.0 CB B:CYS38 3.3 50.9 1.0 HB3 B:CYS38 3.3 61.1 1.0 HE1 B:HIS62 3.4 54.4 1.0 OD1 B:ASP153 3.5 40.1 1.0 HH22 B:ARG340 3.6 59.1 1.0 CB B:ASP153 4.1 39.3 1.0 HH21 B:ARG340 4.2 59.1 1.0 CG B:HIS62 4.2 45.7 1.0 NH2 B:ARG340 4.2 49.1 1.0 ND1 B:HIS62 4.2 43.6 1.0 HB3 B:ASP153 4.2 47.3 1.0 HB2 B:ASP153 4.3 47.3 1.0 HB3 B:SER40 4.3 60.3 1.0 CB B:SER40 4.4 50.2 1.0 H B:SER40 4.5 62.6 1.0 HG3 B:GLU63 4.7 54.1 1.0 CA B:CYS38 4.7 47.7 1.0 HB2 B:SER40 4.9 60.3 1.0 HA B:CYS38 5.0 57.3 1.0 HG1 B:THR157 5.0 45.9 1.0 HD1 B:HIS62 5.0 52.4 1.0 HD11 B:LEU183 5.0 46.9 1.0

Zinc binding site 6 out of 26 in the Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn502 b:62.9 occ:0.30 ZN B:ZN502 0.0 62.9 0.3 HB2 B:CYS38 1.7 61.1 1.0 HH21 B:ARG340 1.9 59.1 1.0 OD2 B:ASP153 2.2 46.5 1.0 HH22 B:ARG340 2.2 59.1 1.0 NH2 B:ARG340 2.3 49.1 1.0 HG3 B:GLU63 2.3 54.1 1.0 CB B:CYS38 2.6 50.9 1.0 HB3 B:ASP153 2.7 47.3 1.0 ZN B:ZN502 2.8 38.4 0.7 NE2 B:HIS62 2.9 47.9 1.0 CG B:ASP153 3.0 39.2 1.0 SG B:CYS38 3.0 47.2 1.0 CG B:GLU63 3.1 45.0 1.0 HB3 B:CYS38 3.1 61.1 1.0 CD B:GLU63 3.2 47.2 1.0 OE2 B:GLU63 3.2 47.1 1.0 CB B:ASP153 3.3 39.3 1.0 HD2 B:HIS62 3.3 52.0 1.0 HG2 B:GLU63 3.4 54.1 1.0 CD2 B:HIS62 3.4 43.2 1.0 CZ B:ARG340 3.5 48.4 1.0 HB2 B:ASP153 3.6 47.3 1.0 HA B:CYS38 3.7 57.3 1.0 CA B:CYS38 3.7 47.7 1.0 CE1 B:HIS62 3.9 45.2 1.0 HE B:ARG340 3.9 52.6 1.0 OE1 B:GLU63 4.0 46.4 1.0 O B:HOH649 4.1 41.8 1.0 OD1 B:ASP153 4.2 40.1 1.0 NE B:ARG340 4.2 43.7 1.0 N B:CYS38 4.2 45.2 1.0 HE1 B:HIS62 4.3 54.4 1.0 HB2 B:GLU63 4.3 52.8 1.0 CB B:GLU63 4.4 44.0 1.0 HH12 B:ARG340 4.4 56.8 1.0 NH1 B:ARG340 4.4 47.2 1.0 CG B:HIS62 4.5 45.7 1.0 O B:LEU37 4.5 52.0 1.0 H B:ALA154 4.6 46.0 1.0 C B:LEU37 4.6 48.5 1.0 H B:CYS38 4.6 54.3 1.0 CA B:ASP153 4.7 34.4 1.0 ND1 B:HIS62 4.7 43.6 1.0 HD11 B:LEU183 4.8 46.9 1.0 N B:ALA154 4.8 38.2 1.0 C B:ASP153 5.0 41.3 1.0 C B:CYS38 5.0 48.5 1.0 HB3 B:GLU63 5.0 52.8 1.0

Zinc binding site 7 out of 26 in the Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn402 b:33.4 occ:1.00 SG C:CYS106 2.3 36.2 1.0 SG C:CYS98 2.4 33.3 1.0 SG C:CYS95 2.4 32.5 1.0 SG C:CYS92 2.4 38.2 1.0 H C:CYS92 2.8 43.6 1.0 H C:CYS95 2.9 45.5 1.0 HB2 C:CYS106 3.0 42.2 1.0 HB2 C:CYS98 3.1 41.5 1.0 HB3 C:CYS95 3.1 41.1 1.0 H C:GLY93 3.2 47.3 1.0 CB C:CYS106 3.2 35.1 1.0 HA C:CYS106 3.3 37.4 1.0 CB C:CYS95 3.3 34.2 1.0 CB C:CYS98 3.4 34.5 1.0 N C:CYS92 3.4 36.3 1.0 CB C:CYS92 3.5 39.2 1.0 HB3 C:CYS92 3.5 47.2 1.0 H C:ALA94 3.6 50.6 1.0 H C:CYS98 3.7 35.9 1.0 H C:THR107 3.7 42.4 1.0 N C:CYS95 3.7 37.8 1.0 H C:ARG108 3.7 47.5 1.0 CA C:CYS106 3.7 31.1 1.0 N C:GLY93 3.7 39.3 1.0 CA C:CYS92 3.9 37.7 1.0 HB2 C:ARG108 3.9 53.6 1.0 HB3 C:CYS98 4.0 41.5 1.0 HB3 C:CYS106 4.0 42.2 1.0 CA C:CYS95 4.1 37.2 1.0 HB2 C:CYS95 4.1 41.1 1.0 C C:CYS92 4.2 38.2 1.0 HA3 C:GLY91 4.2 47.1 1.0 N C:THR107 4.2 35.2 1.0 N C:CYS98 4.3 29.8 1.0 N C:ALA94 4.3 42.1 1.0 HB2 C:CYS92 4.3 47.2 1.0 HD3 C:ARG108 4.4 67.7 1.0 C C:CYS106 4.4 34.1 1.0 CA C:CYS98 4.4 32.1 1.0 C C:GLY91 4.5 38.0 1.0 N C:ARG108 4.5 39.5 1.0 HB3 C:ALA97 4.7 36.3 1.0 HG1 C:THR107 4.7 44.5 1.0 HA C:CYS98 4.7 38.6 1.0 H C:ALA109 4.7 49.5 1.0 CA C:GLY93 4.7 35.9 1.0 CA C:GLY91 4.7 39.1 1.0 HA2 C:GLY91 4.8 47.1 1.0 HA C:CYS92 4.8 45.4 1.0 C C:CYS95 4.8 32.7 1.0 CB C:ARG108 4.8 44.6 1.0 HA2 C:GLY93 4.8 43.1 1.0 C C:ALA94 4.9 42.2 1.0 HA C:CYS95 4.9 44.7 1.0 O C:CYS95 4.9 33.6 1.0 C C:GLY93 4.9 39.5 1.0 HA C:GLU103 5.0 38.0 1.0 HG3 C:ARG108 5.0 57.4 1.0 HG2 C:GLU103 5.0 47.4 1.0 N C:CYS106 5.0 28.4 1.0

Zinc binding site 8 out of 26 in the Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn403 b:60.5 occ:1.00 OD2 C:ASP153 2.2 53.4 1.0 HB3 C:CYS38 2.2 62.2 1.0 OE2 C:GLU63 2.3 55.8 1.0 NE2 C:HIS62 2.4 51.3 1.0 SG C:CYS38 2.4 64.5 1.0 CB C:CYS38 2.7 51.8 1.0 HH21 C:ARG340 2.9 68.9 1.0 HB3 C:ASP153 3.0 42.9 1.0 CG C:ASP153 3.0 41.5 1.0 HB2 C:CYS38 3.1 62.2 1.0 HG3 C:GLU63 3.1 48.0 1.0 CE1 C:HIS62 3.2 40.0 1.0 CD C:GLU63 3.3 45.8 1.0 CD2 C:HIS62 3.3 42.8 1.0 HE1 C:HIS62 3.4 48.1 1.0 CB C:ASP153 3.4 35.7 1.0 HD2 C:HIS62 3.5 51.4 1.0 NH2 C:ARG340 3.5 57.4 1.0 CG C:GLU63 3.5 39.9 1.0 HB2 C:ASP153 3.6 42.9 1.0 HH22 C:ARG340 3.6 68.9 1.0 HG2 C:GLU63 3.7 48.0 1.0 OD1 C:ASP153 4.0 38.5 1.0 CA C:CYS38 4.1 58.0 1.0 HG C:SER40 4.1 67.4 1.0 ND1 C:HIS62 4.3 40.7 1.0 CG C:HIS62 4.3 40.1 1.0 N C:CYS38 4.4 51.0 1.0 OE1 C:GLU63 4.4 37.9 1.0 C11 C:W3O404 4.4 49.8 1.0 HE C:ARG340 4.4 63.2 1.0 H C:CYS38 4.4 61.3 1.0 OG C:SER40 4.5 56.1 1.0 HB2 C:SER40 4.5 57.5 1.0 CZ C:ARG340 4.5 53.8 1.0 O C:HOH546 4.6 35.8 1.0 HA C:CYS38 4.7 69.6 1.0 C13 C:W3O404 4.7 49.0 1.0 H C:SER40 4.8 53.6 1.0 CA C:ASP153 4.8 33.2 1.0 NE C:ARG340 4.8 52.6 1.0 C C:CYS38 4.9 54.5 1.0 H C:ALA154 4.9 45.3 1.0 CB C:GLU63 5.0 33.8 1.0 C C:LEU37 5.0 48.3 1.0

Zinc binding site 9 out of 26 in the Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn403 b:28.7 occ:1.00 SG D:CYS95 2.3 26.0 1.0 SG D:CYS92 2.3 30.1 1.0 SG D:CYS98 2.4 28.6 1.0 SG D:CYS106 2.4 27.2 1.0 H D:CYS92 2.8 32.8 1.0 H D:CYS95 2.9 37.9 1.0 HB2 D:CYS98 3.0 39.5 1.0 HB3 D:CYS95 3.1 29.7 1.0 H D:GLY93 3.1 38.4 1.0 HB2 D:CYS106 3.2 35.1 1.0 CB D:CYS106 3.3 29.2 1.0 CB D:CYS95 3.3 24.7 1.0 CB D:CYS98 3.3 32.8 1.0 HA D:CYS106 3.3 33.6 1.0 CB D:CYS92 3.4 27.8 1.0 HB3 D:CYS92 3.4 33.4 1.0 N D:CYS92 3.5 27.2 1.0 H D:CYS98 3.6 33.0 1.0 H D:ALA94 3.6 39.3 1.0 N D:CYS95 3.7 31.6 1.0 H D:ARG108 3.7 40.1 1.0 N D:GLY93 3.7 31.9 1.0 H D:THR107 3.7 38.0 1.0 CA D:CYS106 3.8 28.0 1.0 HB2 D:ARG108 3.8 46.1 1.0 CA D:CYS92 3.8 26.7 1.0 HB3 D:CYS98 3.9 39.5 1.0 CA D:CYS95 4.0 32.4 1.0 HB2 D:CYS95 4.1 29.7 1.0 HB3 D:CYS106 4.1 35.1 1.0 C D:CYS92 4.2 32.0 1.0 N D:CYS98 4.2 27.4 1.0 HB2 D:CYS92 4.3 33.4 1.0 N D:THR107 4.3 31.6 1.0 HA3 D:GLY91 4.3 36.4 1.0 N D:ALA94 4.3 32.7 1.0 CA D:CYS98 4.4 28.7 1.0 HG3 D:ARG108 4.4 48.5 1.0 C D:CYS106 4.4 30.1 1.0 N D:ARG108 4.5 33.4 1.0 HG2 D:ARG108 4.5 48.5 1.0 C D:GLY91 4.5 31.4 1.0 CB D:ARG108 4.6 38.3 1.0 HB3 D:ALA97 4.6 34.0 1.0 HA D:CYS98 4.7 34.6 1.0 CA D:GLY93 4.7 32.0 1.0 CG D:ARG108 4.7 40.3 1.0 C D:CYS95 4.7 28.4 1.0 HA D:CYS92 4.8 32.1 1.0 H D:ALA109 4.8 40.6 1.0 CA D:GLY91 4.8 30.2 1.0 HA2 D:GLY93 4.8 38.5 1.0 C D:ALA94 4.8 31.5 1.0 HA D:CYS95 4.9 39.0 1.0 HA2 D:GLY91 4.9 36.4 1.0 O D:CYS95 4.9 30.3 1.0 C D:GLY93 4.9 34.4 1.0 HA D:GLU103 4.9 36.2 1.0

Zinc binding site 10 out of 26 in the Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Rhodococcus Ruber Alcohol Dehydrogenase Nadh Biomimetic Complex - Compound 1A within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn404 b:32.8 occ:1.00 OE2 D:GLU63 2.0 33.4 1.0 OD1 D:ASP153 2.0 41.8 1.0 NE2 D:HIS62 2.2 31.4 1.0 SG D:CYS38 2.3 28.8 1.0 CG D:ASP153 3.0 33.5 1.0 CD D:GLU63 3.0 32.0 1.0 HB3 D:ASP153 3.0 32.8 1.0 HB3 D:CYS38 3.0 41.8 1.0 CD2 D:HIS62 3.1 31.9 1.0 CE1 D:HIS62 3.2 31.5 1.0 HG3 D:GLU63 3.2 35.5 1.0 HD2 D:HIS62 3.3 38.3 1.0 CB D:CYS38 3.3 34.8 1.0 CB D:ASP153 3.3 27.3 1.0 HB2 D:ASP153 3.4 32.8 1.0 HE1 D:HIS62 3.4 37.9 1.0 HG2 D:GLU63 3.4 35.5 1.0 CG D:GLU63 3.5 29.5 1.0 HB2 D:CYS38 3.8 41.8 1.0 HB2 D:SER40 4.0 42.7 1.0 OD2 D:ASP153 4.1 34.0 1.0 OE1 D:GLU63 4.1 28.8 1.0 CG D:HIS62 4.3 25.9 1.0 ND1 D:HIS62 4.3 29.4 1.0 OG D:SER40 4.3 38.8 1.0 C11 D:W3O405 4.5 36.6 1.0 CA D:CYS38 4.5 35.5 1.0 N D:CYS38 4.5 31.9 1.0 H D:CYS38 4.6 38.4 1.0 C10 D:W3O405 4.6 34.5 1.0 HE D:ARG340 4.6 50.9 1.0 CB D:SER40 4.7 35.5 1.0 H D:SER40 4.7 35.9 1.0 C13 D:W3O405 4.7 34.4 1.0 O D:HOH563 4.8 27.1 1.0 CA D:ASP153 4.8 29.8 1.0 CB D:GLU63 5.0 22.6 1.0

R.A.Rocha, L.A.Wilson, B.D.Schwartz, A.C.Warden, L.W.Guddat, R.E.Speight, L.Malins, G.Schenk, C.Scott. Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics Catalysts V. 14 2024.
ISSN: ESSN 2073-4344
DOI: 10.3390/CATAL14070399