Zinc in PDB 1agn: X-Ray Structure of Human Sigma Alcohol Dehydrogenase

All present enzymatic activity of X-Ray Structure of Human Sigma Alcohol Dehydrogenase:
1.1.1.1;

The structure of X-Ray Structure of Human Sigma Alcohol Dehydrogenase, PDB code: 1agn was solved by T.D.Hurley, P.Xie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	86.300, 94.650, 121.660, 90.00, 100.03, 90.00
R / Rfree (%)	22.5 / 30.5

Pages:

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

Binding sites:

The binding sites of Zinc atom in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase (pdb code 1agn). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 16 binding sites of Zinc where determined in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase, PDB code: 1agn:
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 X-Ray Structure of Human Sigma Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Structure of Human Sigma Alcohol Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn375 b:19.6 occ:1.00 SG A:CYS103 2.1 19.6 1.0 SG A:CYS100 2.2 19.6 1.0 SG A:CYS111 2.2 19.6 1.0 SG A:CYS97 2.3 19.6 1.0 CB A:CYS111 2.8 19.6 1.0 CB A:CYS103 3.0 19.6 1.0 CB A:CYS100 3.2 19.6 1.0 N A:CYS97 3.4 19.6 1.0 CB A:CYS97 3.4 19.6 1.0 CA A:CYS111 3.4 19.6 1.0 N A:CYS100 3.8 19.6 1.0 CA A:CYS97 3.9 19.6 1.0 N A:ARG98 3.9 19.6 1.0 N A:ILE112 4.0 19.6 1.0 CA A:CYS100 4.1 19.6 1.0 CA A:CYS103 4.2 19.6 1.0 C A:GLN96 4.2 19.6 1.0 C A:CYS111 4.2 19.6 1.0 C A:CYS97 4.3 19.6 1.0 N A:CYS103 4.3 19.6 1.0 CA A:GLN96 4.3 19.6 1.0 N A:GLU99 4.5 19.6 1.0 O A:CYS100 4.5 19.6 1.0 N A:CYS111 4.6 19.6 1.0 C A:CYS100 4.6 19.6 1.0 N A:GLN96 4.9 19.6 1.0 CA A:ARG98 4.9 19.6 1.0

Zinc binding site 2 out of 16 in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of X-Ray Structure of Human Sigma Alcohol Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn376 b:19.6 occ:1.00 SG A:CYS174 2.2 19.6 1.0 NE2 A:HIS67 2.3 19.6 1.0 SG A:CYS46 2.5 19.6 1.0 CD2 A:HIS67 3.1 19.6 1.0 OG1 A:THR48 3.2 19.6 1.0 O A:ACT378 3.2 19.6 1.0 CE1 A:HIS67 3.3 19.6 1.0 CB A:CYS46 3.4 19.6 1.0 CB A:CYS174 3.6 19.6 1.0 C5N A:NAD377 3.7 19.6 1.0 CB A:THR48 3.9 19.6 1.0 OXT A:ACT378 3.9 19.6 1.0 C A:ACT378 4.0 19.6 1.0 C6N A:NAD377 4.1 19.6 1.0 C4N A:NAD377 4.2 19.6 1.0 CG A:HIS67 4.3 19.6 1.0 ND1 A:HIS67 4.4 19.6 1.0 N A:THR48 4.8 19.6 1.0 OE1 A:GLU68 4.8 19.6 1.0 CG2 A:THR48 4.8 19.6 1.0 CA A:CYS46 4.8 19.6 1.0 CA A:CYS174 4.9 19.6 1.0 CA A:THR48 5.0 19.6 1.0 N1N A:NAD377 5.0 19.6 1.0

Zinc binding site 3 out of 16 in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of X-Ray Structure of Human Sigma Alcohol Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:15.0 occ:1.00 NE2 A:HIS271 1.8 19.6 1.0 N7A A:NAD377 1.9 19.6 1.0 CD2 A:HIS271 2.7 19.6 1.0 O A:ACT501 2.9 19.6 1.0 C8A A:NAD377 2.9 19.6 1.0 CE1 A:HIS271 3.0 19.6 1.0 C5A A:NAD377 3.1 19.6 1.0 OXT A:ACT501 3.1 19.6 1.0 N6A A:NAD377 3.2 19.6 1.0 C A:ACT501 3.4 19.6 1.0 C6A A:NAD377 3.6 19.6 1.0 CG A:HIS271 3.9 19.6 1.0 ND1 A:HIS271 4.0 19.6 1.0 N9A A:NAD377 4.2 19.6 1.0 C4A A:NAD377 4.2 19.6 1.0 CG2 A:ILE269 4.7 19.6 1.0 CH3 A:ACT501 4.9 19.6 1.0

Zinc binding site 4 out of 16 in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of X-Ray Structure of Human Sigma Alcohol Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn375 b:15.4 occ:1.00 SG B:CYS111 2.1 15.4 1.0 SG B:CYS97 2.2 15.4 1.0 SG B:CYS103 2.3 15.4 1.0 SG B:CYS100 2.4 15.4 1.0 CB B:CYS111 3.0 15.4 1.0 CB B:CYS97 3.1 15.4 1.0 N B:CYS97 3.1 15.4 1.0 CB B:CYS103 3.4 15.4 1.0 CB B:CYS100 3.5 15.4 1.0 CA B:CYS97 3.6 15.4 1.0 CA B:CYS111 3.7 15.4 1.0 N B:ARG98 3.7 15.4 1.0 N B:CYS100 3.8 15.4 1.0 N B:ILE112 4.1 15.4 1.0 C B:GLN96 4.1 15.4 1.0 C B:CYS97 4.1 15.4 1.0 CA B:CYS100 4.2 15.4 1.0 N B:GLU99 4.3 15.4 1.0 CA B:GLN96 4.3 15.4 1.0 C B:CYS111 4.4 15.4 1.0 CA B:CYS103 4.5 15.4 1.0 N B:CYS103 4.6 15.4 1.0 CA B:ARG98 4.8 15.4 1.0 C B:GLU99 4.9 15.4 1.0 C B:CYS100 4.9 15.4 1.0 N B:CYS111 5.0 15.4 1.0 N B:GLN96 5.0 15.4 1.0

Zinc binding site 5 out of 16 in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of X-Ray Structure of Human Sigma Alcohol Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn376 b:15.4 occ:1.00 NE2 B:HIS67 2.0 15.4 1.0 SG B:CYS174 2.1 15.4 1.0 SG B:CYS46 2.2 15.4 1.0 OXT B:ACT378 2.2 15.4 1.0 CE1 B:HIS67 2.8 15.4 1.0 CB B:CYS46 2.9 15.4 1.0 C B:ACT378 3.0 15.4 1.0 CD2 B:HIS67 3.2 15.4 1.0 CB B:CYS174 3.4 15.4 1.0 O B:ACT378 3.7 15.4 1.0 C5N B:NAD377 3.8 15.4 1.0 CH3 B:ACT378 3.8 15.4 1.0 ND1 B:HIS67 4.1 15.4 1.0 C6N B:NAD377 4.2 15.4 1.0 CB B:THR48 4.2 15.4 1.0 CG B:HIS67 4.2 15.4 1.0 OG1 B:THR48 4.4 15.4 1.0 CA B:CYS46 4.4 15.4 1.0 NH2 B:ARG369 4.5 15.4 1.0 C4N B:NAD377 4.5 15.4 1.0 OE1 B:GLU68 4.7 15.4 1.0 CA B:CYS174 4.7 15.4 1.0 N B:GLY175 4.9 15.4 1.0 CG2 B:THR48 5.0 15.4 1.0 N B:THR48 5.0 15.4 1.0

Zinc binding site 6 out of 16 in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of X-Ray Structure of Human Sigma Alcohol Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:23.2 occ:1.00 N7A B:NAD377 1.9 15.4 1.0 O B:ACT501 2.2 15.4 1.0 NE2 B:HIS271 2.5 15.4 1.0 C5A B:NAD377 2.8 15.4 1.0 N6A B:NAD377 2.9 15.4 1.0 C8A B:NAD377 3.0 15.4 1.0 C B:ACT501 3.2 15.4 1.0 CD2 B:HIS271 3.2 15.4 1.0 C6A B:NAD377 3.3 15.4 1.0 CE1 B:HIS271 3.3 15.4 1.0 OXT B:ACT501 3.6 15.4 1.0 C4A B:NAD377 4.0 15.4 1.0 N9A B:NAD377 4.1 15.4 1.0 CG B:HIS271 4.2 15.4 1.0 CG2 B:ILE269 4.2 15.4 1.0 ND1 B:HIS271 4.2 15.4 1.0 CH3 B:ACT501 4.4 15.4 1.0 N1A B:NAD377 4.7 15.4 1.0

Zinc binding site 7 out of 16 in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of X-Ray Structure of Human Sigma Alcohol Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:24.4 occ:1.00 NE2 B:HIS138 2.1 15.4 1.0 CD2 B:HIS138 3.0 15.4 1.0 CE1 B:HIS138 3.2 15.4 1.0 O B:PHE61 3.8 15.4 1.0 CG B:HIS138 4.2 15.4 1.0 ND1 B:HIS138 4.3 15.4 1.0 C B:PHE61 4.8 15.4 1.0 CG B:PRO136 4.9 15.4 1.0 CD B:PRO62 4.9 15.4 1.0 CB B:LYS60 5.0 15.4 1.0

Zinc binding site 8 out of 16 in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of X-Ray Structure of Human Sigma Alcohol Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:19.8 occ:1.00 OD2 B:ASP341 2.1 15.4 1.0 OXT B:ACT503 2.1 15.4 1.0 CG B:ASP341 2.4 15.4 1.0 OD1 B:ASP341 2.4 15.4 1.0 OE1 D:GLU99 2.5 14.9 1.0 OXT B:ACT502 2.8 15.4 1.0 O B:ACT502 3.1 15.4 1.0 C B:ACT502 3.2 15.4 1.0 C B:ACT503 3.2 15.4 1.0 CD D:GLU99 3.2 14.9 1.0 OE2 D:GLU99 3.3 14.9 1.0 O B:ACT503 3.7 15.4 1.0 CB B:ASP341 3.7 15.4 1.0 CH3 B:ACT502 4.4 15.4 1.0 CH3 B:ACT503 4.5 15.4 1.0 CG D:GLU99 4.7 14.9 1.0 CG B:GLN344 4.7 15.4 1.0 CA B:ASP341 4.8 15.4 1.0 CB B:ASP343 4.9 15.4 1.0 NE2 B:GLN344 5.0 15.4 1.0

Zinc binding site 9 out of 16 in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of X-Ray Structure of Human Sigma Alcohol Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn375 b:25.9 occ:1.00 SG C:CYS111 2.1 25.9 1.0 SG C:CYS97 2.2 25.9 1.0 SG C:CYS100 2.3 25.9 1.0 SG C:CYS103 2.3 25.9 1.0 CB C:CYS111 3.0 25.9 1.0 CB C:CYS97 3.1 25.9 1.0 CB C:CYS103 3.3 25.9 1.0 CB C:CYS100 3.4 25.9 1.0 N C:CYS97 3.6 25.9 1.0 N C:CYS100 3.6 25.9 1.0 CA C:CYS111 3.6 25.9 1.0 N C:ILE112 3.7 25.9 1.0 CA C:CYS97 3.8 25.9 1.0 N C:ARG98 4.0 25.9 1.0 CA C:CYS100 4.1 25.9 1.0 C C:CYS111 4.1 25.9 1.0 CG2 C:ILE112 4.2 25.9 1.0 N C:GLU99 4.2 25.9 1.0 C C:CYS97 4.3 25.9 1.0 CA C:CYS103 4.4 25.9 1.0 N C:CYS103 4.5 25.9 1.0 C C:GLN96 4.7 25.9 1.0 CB C:ILE112 4.7 25.9 1.0 C C:GLU99 4.7 25.9 1.0 CA C:ILE112 4.7 25.9 1.0 C C:CYS100 4.8 25.9 1.0 O C:CYS100 4.8 25.9 1.0 N C:CYS111 5.0 25.9 1.0 CA C:GLU99 5.0 25.9 1.0 CA C:ARG98 5.0 25.9 1.0

Zinc binding site 10 out of 16 in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of X-Ray Structure of Human Sigma Alcohol Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn376 b:25.9 occ:1.00 SG C:CYS174 2.1 25.9 1.0 NE2 C:HIS67 2.2 25.9 1.0 SG C:CYS46 2.2 25.9 1.0 CE1 C:HIS67 3.1 25.9 1.0 OG1 C:THR48 3.2 25.9 1.0 CB C:CYS46 3.2 25.9 1.0 CD2 C:HIS67 3.3 25.9 1.0 CB C:CYS174 3.4 25.9 1.0 C5N C:NAD377 3.4 25.9 1.0 C6N C:NAD377 4.1 25.9 1.0 C4N C:NAD377 4.2 25.9 1.0 CB C:THR48 4.2 25.9 1.0 ND1 C:HIS67 4.3 25.9 1.0 CG C:HIS67 4.4 25.9 1.0 OXT C:ACT378 4.5 25.9 1.0 CA C:CYS46 4.7 25.9 1.0 OE1 C:GLU68 4.7 25.9 1.0 CA C:CYS174 4.8 25.9 1.0 N C:GLY175 4.8 25.9 1.0 NH2 C:ARG369 4.9 25.9 1.0

P.Xie, S.H.Parsons, D.C.Speckhard, W.F.Bosron, T.D.Hurley. X-Ray Structure of Human Class IV Sigmasigma Alcohol Dehydrogenase. Structural Basis For Substrate Specificity. J.Biol.Chem. V. 272 18558 1997.
ISSN: ISSN 0021-9258
PubMed: 9228021
DOI: 10.1074/JBC.272.30.18558