Iodine in PDB 1n92: Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 4- Iodopyrazole

All present enzymatic activity of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 4- Iodopyrazole:
1.1.1.1;

The structure of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 4- Iodopyrazole, PDB code: 1n92 was solved by J.K.Rubach, B.V.Plapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.47
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	44.200, 51.050, 93.230, 78.96, 75.47, 70.24
R / Rfree (%)	15.1 / 18.3

The structure of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 4- Iodopyrazole also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Iodine atom in the Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 4- Iodopyrazole (pdb code 1n92). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 4- Iodopyrazole, PDB code: 1n92:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 4- Iodopyrazole


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 4- Iodopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:I378 b:26.7 occ:1.00 I4 A:PYZ378 0.0 26.7 1.0 C4 A:PYZ378 2.1 19.3 1.0 C3 A:PYZ378 3.0 20.6 1.0 C5 A:PYZ378 3.1 19.9 1.0 CD2 A:LEU116 3.8 24.4 1.0 CD1 A:LEU141 4.0 19.2 1.0 N2 A:PYZ378 4.1 19.3 1.0 N1 A:PYZ378 4.2 18.6 1.0 CG A:LEU116 4.2 23.8 1.0 CD2 A:LEU57 4.3 26.0 1.0 CD2 A:LEU141 4.4 22.1 1.0 CE1 A:PHE93 4.5 15.8 1.0 OG A:SER48 4.7 18.6 1.0 CB A:SER48 4.7 19.1 1.0 CD1 A:PHE93 4.8 15.0 1.0 CG A:LEU141 4.9 17.5 1.0 CG2 A:VAL294 4.9 22.1 1.0 CD1 A:LEU57 5.0 28.9 1.0

Iodine binding site 2 out of 2 in the Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 4- Iodopyrazole


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and 4- Iodopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ B:I378 b:22.5 occ:1.00 I4 B:PYZ378 0.0 22.5 1.0 C4 B:PYZ378 2.1 16.4 1.0 C3 B:PYZ378 3.1 18.6 1.0 C5 B:PYZ378 3.1 17.2 1.0 CD1 B:LEU116 3.7 15.6 0.5 CD1 B:LEU141 3.9 16.0 1.0 CD2 B:LEU116 4.0 18.0 0.5 N2 B:PYZ378 4.1 16.6 1.0 N1 B:PYZ378 4.2 16.0 1.0 CD2 B:LEU57 4.2 21.8 1.0 CD2 B:LEU141 4.3 22.5 1.0 CE1 B:PHE93 4.4 13.3 1.0 CG B:LEU116 4.4 17.0 0.5 CD1 B:PHE93 4.7 12.5 1.0 CD1 B:LEU57 4.8 24.7 1.0 OG B:SER48 4.8 14.9 1.0 CG B:LEU141 4.8 15.8 1.0 CB B:SER48 4.9 14.9 1.0

J.K.Rubach, B.V.Plapp. Amino Acid Residues in the Nicotinamide Binding Site Contribute to Catalysis By Horse Liver Alcohol Dehydrogenase Biochemistry V. 42 2907 2003.
ISSN: ISSN 0006-2960
PubMed: 12627956
DOI: 10.1021/BI0272656