Nickel in PDB 4h73: Thermostable Aldehyde Dehydrogenase From Pyrobaculum Sp. Complexed with Nadp+

The structure of Thermostable Aldehyde Dehydrogenase From Pyrobaculum Sp. Complexed with Nadp+, PDB code: 4h73 was solved by T.Petrova, I.G.Shabalin, E.Y.Bezsudnova, K.M.Boyko, A.V.Mardanov, V.Mgumerov, N.V.Ravin, V.O.Popov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.62 / 2.40
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	164.210, 183.770, 206.470, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 26.1

The binding sites of Nickel atom in the Thermostable Aldehyde Dehydrogenase From Pyrobaculum Sp. Complexed with Nadp+ (pdb code 4h73). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 4 binding sites of Nickel where determined in the Thermostable Aldehyde Dehydrogenase From Pyrobaculum Sp. Complexed with Nadp+, PDB code: 4h73:
Jump to Nickel binding site number: 1; 2; 3; 4;

Nickel binding site 1 out of 4 in the Thermostable Aldehyde Dehydrogenase From Pyrobaculum Sp. Complexed with Nadp+


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Thermostable Aldehyde Dehydrogenase From Pyrobaculum Sp. Complexed with Nadp+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni502 b:44.3 occ:1.00 NE2 B:HIS467 2.5 31.4 1.0 NE2 A:HIS467 2.5 34.4 1.0 O A:HOH763 2.7 43.9 1.0 O B:HOH704 2.8 44.4 1.0 CD2 A:HIS467 3.1 29.6 1.0 CD2 B:HIS467 3.2 31.1 1.0 CE1 B:HIS467 3.6 39.7 1.0 O A:HOH695 3.6 43.5 1.0 CE1 A:HIS467 3.7 38.0 1.0 O B:HOH655 4.0 30.2 1.0 O A:HOH749 4.1 38.7 1.0 CG B:HIS467 4.4 36.2 1.0 CG A:HIS467 4.4 29.9 1.0 ND1 B:HIS467 4.6 48.9 1.0 ND1 A:HIS467 4.6 40.0 1.0 OE2 A:GLU468 4.7 37.3 1.0 OE2 B:GLU468 4.8 37.9 1.0 O B:HOH654 4.9 41.3 1.0

Nickel binding site 2 out of 4 in the Thermostable Aldehyde Dehydrogenase From Pyrobaculum Sp. Complexed with Nadp+


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Thermostable Aldehyde Dehydrogenase From Pyrobaculum Sp. Complexed with Nadp+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Ni502 b:43.0 occ:1.00 NE2 C:HIS467 2.4 29.2 1.0 NE2 D:HIS467 2.6 36.5 1.0 O D:HOH771 2.7 46.9 1.0 O D:HOH717 2.7 40.2 1.0 O C:HOH728 2.7 44.6 1.0 CD2 D:HIS467 3.0 30.3 1.0 O D:HOH665 3.1 40.8 1.0 CD2 C:HIS467 3.3 31.4 1.0 CE1 C:HIS467 3.4 38.0 1.0 CE1 D:HIS467 3.8 46.4 1.0 O D:HOH774 4.0 36.5 1.0 O C:HOH667 4.3 42.7 1.0 CG D:HIS467 4.4 35.4 1.0 CG C:HIS467 4.5 30.9 1.0 ND1 C:HIS467 4.5 41.1 1.0 O D:HOH720 4.5 39.8 1.0 ND1 D:HIS467 4.7 46.7 1.0 O C:HOH772 5.0 40.3 1.0

Nickel binding site 3 out of 4 in the Thermostable Aldehyde Dehydrogenase From Pyrobaculum Sp. Complexed with Nadp+


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Thermostable Aldehyde Dehydrogenase From Pyrobaculum Sp. Complexed with Nadp+ within 5.0Å range: probe atom residue distance (Å) B Occ E:Ni502 b:44.1 occ:1.00 NE2 E:HIS467 2.5 34.7 1.0 NE2 F:HIS467 2.5 30.5 1.0 O F:HOH705 2.6 44.8 1.0 CD2 F:HIS467 3.1 27.3 1.0 CD2 E:HIS467 3.3 31.4 1.0 CE1 E:HIS467 3.5 36.5 1.0 CE1 F:HIS467 3.7 44.1 1.0 O E:HOH757 4.1 44.6 1.0 CG F:HIS467 4.4 33.2 1.0 CG E:HIS467 4.5 29.8 1.0 ND1 E:HIS467 4.6 40.2 1.0 ND1 F:HIS467 4.7 48.1 1.0 OE2 F:GLU468 4.7 40.0 1.0 OE2 E:GLU468 4.9 36.7 1.0 O F:HOH767 5.0 40.9 1.0

Nickel binding site 4 out of 4 in the Thermostable Aldehyde Dehydrogenase From Pyrobaculum Sp. Complexed with Nadp+


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 4 of Thermostable Aldehyde Dehydrogenase From Pyrobaculum Sp. Complexed with Nadp+ within 5.0Å range: probe atom residue distance (Å) B Occ G:Ni502 b:44.3 occ:1.00 NE2 G:HIS467 2.4 28.8 1.0 NE2 H:HIS467 2.6 33.5 1.0 CD2 H:HIS467 3.1 30.5 1.0 CD2 G:HIS467 3.4 30.8 1.0 CE1 G:HIS467 3.4 34.9 1.0 CE1 H:HIS467 3.7 40.2 1.0 CG H:HIS467 4.4 32.6 1.0 ND1 G:HIS467 4.5 38.2 1.0 CG G:HIS467 4.5 30.4 1.0 ND1 H:HIS467 4.7 43.4 1.0 O G:HOH645 4.8 40.8 1.0 OE2 H:GLU468 5.0 37.5 1.0

T.Petrova, I.G.Shabalin, E.Y.Bezsudnova, K.M.Boyko, A.V.Mardanov, V.M Gumerov, N.V.Ravin, V.O.Popov. Thermostable Aldehyde Dehydrogenase From Pyrobaculum Sp. Complexed with Nadp+ To Be Published.