Nickel in PDB 5huq: A Tethered Niacin-Derived Pincer Complex with A Nickel-Carbon Bond in Lactate Racemase

The structure of A Tethered Niacin-Derived Pincer Complex with A Nickel-Carbon Bond in Lactate Racemase, PDB code: 5huq was solved by B.Desguin, T.Zhang, P.Soumillion, P.Hols, J.Hu, R.P.Hausinger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 3.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	111.277, 111.277, 306.181, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 23.4

The binding sites of Nickel atom in the A Tethered Niacin-Derived Pincer Complex with A Nickel-Carbon Bond in Lactate Racemase (pdb code 5huq). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the A Tethered Niacin-Derived Pincer Complex with A Nickel-Carbon Bond in Lactate Racemase, PDB code: 5huq:

Nickel binding site 1 out of 1 in the A Tethered Niacin-Derived Pincer Complex with A Nickel-Carbon Bond in Lactate Racemase


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of A Tethered Niacin-Derived Pincer Complex with A Nickel-Carbon Bond in Lactate Racemase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni501 b:64.5 occ:1.00 NE2 B:HIS200 2.1 63.0 1.0 C4 B:4EY502 2.1 65.6 1.0 S7 B:4EY502 2.3 58.5 1.0 S2 B:4EY502 2.4 57.1 1.0 C3 B:4EY502 2.9 64.8 1.0 CD2 B:HIS200 3.0 59.6 1.0 C7 B:4EY502 3.0 59.7 1.0 CE1 B:HIS200 3.1 57.9 1.0 C5 B:4EY502 3.1 61.7 1.0 C1 B:4EY502 3.3 65.6 1.0 CG B:PRO188 3.4 40.9 1.0 O3 B:SO4503 3.6 89.8 1.0 CZ B:PHE176 3.9 47.0 1.0 ND1 B:HIS200 4.2 55.1 1.0 CG B:HIS200 4.2 57.8 1.0 CB B:PRO188 4.2 43.4 1.0 C2 B:4EY502 4.2 61.5 1.0 O1 B:SO4503 4.2 75.5 1.0 CD B:PRO188 4.3 41.6 1.0 C6 B:4EY502 4.3 58.9 1.0 NZ B:LYS184 4.4 54.6 1.0 O2 B:4EY502 4.5 72.3 1.0 CE2 B:PHE176 4.5 48.0 1.0 S B:SO4503 4.6 91.2 1.0 NE1 B:TRP358 4.7 54.2 1.0 N1 B:4EY502 4.7 59.0 1.0 CG2 B:ILE196 4.8 51.0 1.0 CE1 B:PHE176 4.9 46.9 1.0

B.Desguin, T.Zhang, P.Soumillion, P.Hols, J.Hu, R.P.Hausinger. Metalloproteins. A Tethered Niacin-Derived Pincer Complex with A Nickel-Carbon Bond in Lactate Racemase. Science V. 349 66 2015.
ISSN: ESSN 1095-9203
PubMed: 26138974
DOI: 10.1126/SCIENCE.AAB2272