Nickel in PDB 7fbw: Acetylxylan Esterase From Caldanaerobacter Subterraneus Subsp. Tengcongensis

The structure of Acetylxylan Esterase From Caldanaerobacter Subterraneus Subsp. Tengcongensis, PDB code: 7fbw was solved by K.Sasamoto, T.Himiyama, K.Moriyoshi, T.Ohmoto, K.Uegaki, Y.Nishiya, T.Nakamura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.71 / 1.90
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.211, 105.992, 118.077, 90, 90, 90
R / Rfree (%)	18.6 / 21

The binding sites of Nickel atom in the Acetylxylan Esterase From Caldanaerobacter Subterraneus Subsp. Tengcongensis (pdb code 7fbw). 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 Acetylxylan Esterase From Caldanaerobacter Subterraneus Subsp. Tengcongensis, PDB code: 7fbw:

Nickel binding site 1 out of 1 in the Acetylxylan Esterase From Caldanaerobacter Subterraneus Subsp. Tengcongensis


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Acetylxylan Esterase From Caldanaerobacter Subterraneus Subsp. Tengcongensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni401 b:31.4 occ:1.00 OD2 A:ASP145 1.9 33.8 1.0 O A:HOH540 1.9 34.1 1.0 O A:HOH509 2.1 29.7 1.0 NE2 A:HIS199 2.1 41.9 1.0 NE2 A:HIS195 2.1 26.3 1.0 O A:HOH514 2.2 31.3 1.0 CG A:ASP145 3.0 36.7 1.0 CD2 A:HIS195 3.0 25.2 1.0 CE1 A:HIS199 3.0 50.1 1.0 CD2 A:HIS199 3.2 38.0 1.0 CE1 A:HIS195 3.2 31.4 1.0 OD1 A:ASP145 3.3 34.8 1.0 OD2 A:ASP144 4.1 29.3 1.0 ND1 A:HIS199 4.2 44.9 1.0 CG A:HIS195 4.2 25.2 1.0 CB A:ASP144 4.3 27.4 1.0 CG A:HIS199 4.3 43.3 1.0 ND1 A:HIS195 4.3 28.4 1.0 CB A:ASP145 4.3 32.7 1.0 NE2 A:HIS289 4.5 35.9 1.0 CG A:ASP144 4.6 27.1 1.0 CD2 A:HIS289 4.7 33.1 1.0 CA A:ASP145 4.8 33.5 1.0 N A:ASP145 5.0 31.9 1.0 CA A:PRO235 5.0 29.4 1.0

K.Sasamoto, T.Himiyama, K.Moriyoshi, T.Ohmoto, K.Uegaki, Y.Nishiya, T.Nakamura. Crystal Structure of Acetylxylan Esterase From Caldanaerobacter Subterraneus Subsp. Tengcongensis Acta Crystallogr.,Sect.F V. 77 2021.
ISSN: ESSN 2053-230X
DOI: 10.1107/S2053230X21009675