Phosphorus in PDB 1ad3: Class 3 Aldehyde Dehydrogenase Complex with Nicotinamide- Adenine-Dinucleotide

All present enzymatic activity of Class 3 Aldehyde Dehydrogenase Complex with Nicotinamide- Adenine-Dinucleotide:
1.2.1.5;

The structure of Class 3 Aldehyde Dehydrogenase Complex with Nicotinamide- Adenine-Dinucleotide, PDB code: 1ad3 was solved by Z.-J.Liu, J.Rose, B.C.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.950, 170.950, 47.160, 90.00, 110.25, 90.00
R / Rfree (%)	17.7 / 27.9

The binding sites of Phosphorus atom in the Class 3 Aldehyde Dehydrogenase Complex with Nicotinamide- Adenine-Dinucleotide (pdb code 1ad3). This binding sites where shown within 5.0 Angstroms radius around Phosphorus atom.
In total 4 binding sites of Phosphorus where determined in the Class 3 Aldehyde Dehydrogenase Complex with Nicotinamide- Adenine-Dinucleotide, PDB code: 1ad3:
Jump to Phosphorus binding site number: 1; 2; 3; 4;

Phosphorus binding site 1 out of 4 in the Class 3 Aldehyde Dehydrogenase Complex with Nicotinamide- Adenine-Dinucleotide


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 1 of Class 3 Aldehyde Dehydrogenase Complex with Nicotinamide- Adenine-Dinucleotide within 5.0Å range: probe atom residue distance (Å) B Occ A:P600 b:20.0 occ:1.00 PA A:NAD600 0.0 20.0 1.0 O1A A:NAD600 1.5 20.0 1.0 O2A A:NAD600 1.5 20.0 1.0 O3 A:NAD600 1.6 20.0 1.0 O5B A:NAD600 1.6 20.0 1.0 C5B A:NAD600 2.6 20.0 1.0 PN A:NAD600 2.9 20.0 1.0 O1N A:NAD600 3.4 20.0 1.0 O2N A:NAD600 3.5 20.0 1.0 CE1 A:HIS289 3.9 18.0 1.0 C4B A:NAD600 4.0 20.0 1.0 HE2 A:HIS289 4.1 15.0 1.0 HE1 A:TRP113 4.1 15.0 1.0 O5D A:NAD600 4.1 20.0 1.0 CG2 A:VAL141 4.3 2.6 1.0 NE2 A:HIS289 4.4 17.3 1.0 O A:HOH617 4.5 20.8 1.1 CZ A:ARG288 4.5 65.0 1.0 NH1 A:ARG288 4.5 65.0 1.0 C3B A:NAD600 4.6 20.0 1.0 HH11 A:ARG288 4.7 15.0 1.0 NE A:ARG288 4.7 65.0 1.0 NE1 A:TRP113 4.7 11.4 1.0 HD21 A:ASN286 4.7 15.0 1.0 HH12 A:ARG288 4.8 15.0 1.0 C5D A:NAD600 4.9 20.0 1.0 NH2 A:ARG288 4.9 65.0 1.0 O4B A:NAD600 4.9 20.0 1.0 CD1 A:TRP113 5.0 10.4 1.0

Phosphorus binding site 2 out of 4 in the Class 3 Aldehyde Dehydrogenase Complex with Nicotinamide- Adenine-Dinucleotide


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 2 of Class 3 Aldehyde Dehydrogenase Complex with Nicotinamide- Adenine-Dinucleotide within 5.0Å range: probe atom residue distance (Å) B Occ A:P600 b:20.0 occ:1.00 PN A:NAD600 0.0 20.0 1.0 O1N A:NAD600 1.5 20.0 1.0 O2N A:NAD600 1.5 20.0 1.0 O5D A:NAD600 1.6 20.0 1.0 O3 A:NAD600 1.6 20.0 1.0 C5D A:NAD600 2.7 20.0 1.0 PA A:NAD600 2.9 20.0 1.0 O5B A:NAD600 3.0 20.0 1.0 HE1 A:TRP113 3.3 15.0 1.0 HE2 A:HIS289 3.3 15.0 1.0 C5B A:NAD600 3.5 20.0 1.0 O1A A:NAD600 3.8 20.0 1.0 O2A A:NAD600 4.0 20.0 1.0 C4D A:NAD600 4.0 20.0 1.0 NE2 A:HIS289 4.0 17.3 1.0 C2N A:NAD600 4.2 20.0 1.0 NE1 A:TRP113 4.2 11.4 1.0 CE1 A:HIS289 4.2 18.0 1.0 O4D A:NAD600 4.3 20.0 1.0 C2D A:NAD600 4.4 20.0 1.0 C4B A:NAD600 4.5 20.0 1.0 HH12 A:ARG288 4.5 15.0 1.0 C3D A:NAD600 4.6 20.0 1.0 HH22 A:ARG288 4.6 15.0 1.0 C1D A:NAD600 4.6 20.0 1.0 N7N A:NAD600 4.7 20.0 1.0 N1N A:NAD600 4.7 20.0 1.0 NH1 A:ARG288 4.9 65.0 1.0 CD1 A:TRP113 4.9 10.4 1.0 NH2 A:ARG288 4.9 65.0 1.0 O A:HOH617 5.0 20.8 1.1 HG A:SER188 5.0 15.0 1.0

Phosphorus binding site 3 out of 4 in the Class 3 Aldehyde Dehydrogenase Complex with Nicotinamide- Adenine-Dinucleotide


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 3 of Class 3 Aldehyde Dehydrogenase Complex with Nicotinamide- Adenine-Dinucleotide within 5.0Å range: probe atom residue distance (Å) B Occ B:P600 b:20.0 occ:1.00 PA B:NAD600 0.0 20.0 1.0 O1A B:NAD600 1.5 20.0 1.0 O2A B:NAD600 1.5 20.0 1.0 O3 B:NAD600 1.6 20.0 1.0 O5B B:NAD600 1.6 20.0 1.0 C5B B:NAD600 2.6 20.0 1.0 PN B:NAD600 2.9 20.0 1.0 O1N B:NAD600 3.3 20.0 1.0 O2N B:NAD600 3.5 20.0 1.0 CE1 B:HIS289 3.9 23.7 1.0 C4B B:NAD600 4.0 20.0 1.0 O5D B:NAD600 4.2 20.0 1.0 HE1 B:TRP113 4.2 15.0 1.0 HE2 B:HIS289 4.2 15.0 1.0 CG2 B:VAL141 4.3 10.3 1.0 NE2 B:HIS289 4.4 13.8 1.0 NH1 B:ARG288 4.5 42.4 1.0 CZ B:ARG288 4.6 45.3 1.0 HH11 B:ARG288 4.6 15.0 1.0 C3B B:NAD600 4.6 20.0 1.0 HH12 B:ARG288 4.7 15.0 1.0 NE1 B:TRP113 4.8 15.4 1.0 NE B:ARG288 4.8 44.3 1.0 C5D B:NAD600 4.9 20.0 1.0 O4B B:NAD600 4.9 20.0 1.0 NH2 B:ARG288 5.0 54.6 1.0 ND1 B:HIS289 5.0 25.7 1.0 HD21 B:ASN286 5.0 15.0 1.0

Phosphorus binding site 4 out of 4 in the Class 3 Aldehyde Dehydrogenase Complex with Nicotinamide- Adenine-Dinucleotide


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 4 of Class 3 Aldehyde Dehydrogenase Complex with Nicotinamide- Adenine-Dinucleotide within 5.0Å range: probe atom residue distance (Å) B Occ B:P600 b:20.0 occ:1.00 PN B:NAD600 0.0 20.0 1.0 O1N B:NAD600 1.5 20.0 1.0 O2N B:NAD600 1.5 20.0 1.0 O5D B:NAD600 1.6 20.0 1.0 O3 B:NAD600 1.6 20.0 1.0 C5D B:NAD600 2.7 20.0 1.0 PA B:NAD600 2.9 20.0 1.0 O5B B:NAD600 2.9 20.0 1.0 HE2 B:HIS289 3.2 15.0 1.0 HE1 B:TRP113 3.4 15.0 1.0 C5B B:NAD600 3.6 20.0 1.0 O1A B:NAD600 3.8 20.0 1.0 C4D B:NAD600 3.9 20.0 1.0 NE2 B:HIS289 4.0 13.8 1.0 O2A B:NAD600 4.0 20.0 1.0 O4D B:NAD600 4.1 20.0 1.0 C2N B:NAD600 4.2 20.0 1.0 CE1 B:HIS289 4.2 23.7 1.0 C2D B:NAD600 4.3 20.0 1.0 NE1 B:TRP113 4.3 15.4 1.0 HH12 B:ARG288 4.5 15.0 1.0 C3D B:NAD600 4.5 20.0 1.0 HG B:SER188 4.5 15.0 1.0 C4B B:NAD600 4.5 20.0 1.0 C1D B:NAD600 4.6 20.0 1.0 HH22 B:ARG288 4.7 15.0 1.0 N1N B:NAD600 4.7 20.0 1.0 N7N B:NAD600 4.7 20.0 1.0 NH1 B:ARG288 4.8 42.4 1.0 OG B:SER188 5.0 24.7 1.0

Z.J.Liu, Y.J.Sun, J.Rose, Y.J.Chung, C.D.Hsiao, W.R.Chang, I.Kuo, J.Perozich, R.Lindahl, J.Hempel, B.C.Wang. The First Structure of An Aldehyde Dehydrogenase Reveals Novel Interactions Between Nad and the Rossmann Fold. Nat.Struct.Biol. V. 4 317 1997.
ISSN: ISSN 1072-8368
PubMed: 9095201
DOI: 10.1038/NSB0497-317