Terbium in PDB 8bpq: Crystal Structure of N-Ethylmaleimide Reductase with Mutation Y187F (Nema Y187F) From Escherichia Coli

The structure of Crystal Structure of N-Ethylmaleimide Reductase with Mutation Y187F (Nema Y187F) From Escherichia Coli, PDB code: 8bpq was solved by P.Pfister, M.Tinzl, T.Erb, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.27 / 2.30
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	96.062, 96.062, 100.35, 90, 90, 120
R / Rfree (%)	19.3 / 24.5

The binding sites of Terbium atom in the Crystal Structure of N-Ethylmaleimide Reductase with Mutation Y187F (Nema Y187F) From Escherichia Coli (pdb code 8bpq). This binding sites where shown within 5.0 Angstroms radius around Terbium atom.
In total 3 binding sites of Terbium where determined in the Crystal Structure of N-Ethylmaleimide Reductase with Mutation Y187F (Nema Y187F) From Escherichia Coli, PDB code: 8bpq:
Jump to Terbium binding site number: 1; 2; 3;

Terbium binding site 1 out of 3 in the Crystal Structure of N-Ethylmaleimide Reductase with Mutation Y187F (Nema Y187F) From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Terbium with other atoms in the Tb binding site number 1 of Crystal Structure of N-Ethylmaleimide Reductase with Mutation Y187F (Nema Y187F) From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Tb402 b:10.2 occ:1.00 TB A:7MT402 0.0 10.2 1.0 N23 A:7MT402 2.4 15.5 1.0 N17 A:7MT402 2.5 13.3 1.0 N06 A:7MT402 2.6 13.3 1.0 N09 A:7MT402 2.7 13.5 1.0 N02 A:7MT402 2.7 16.3 1.0 O26 A:7MT402 2.8 12.3 1.0 O27 A:7MT402 2.9 16.2 1.0 C11 A:7MT402 3.3 13.7 1.0 C29 A:7MT402 3.3 11.9 1.0 C07 A:7MT402 3.3 14.4 1.0 C22 A:7MT402 3.4 15.2 1.0 C10 A:7MT402 3.4 15.8 1.0 C04 A:7MT402 3.4 11.3 1.0 C30 A:7MT402 3.4 12.7 1.0 C03 A:7MT402 3.4 17.0 1.0 C16 A:7MT402 3.5 11.4 1.0 C24 A:7MT402 3.5 14.3 1.0 C08 A:7MT402 3.5 13.8 1.0 C05 A:7MT402 3.5 13.0 1.0 C18 A:7MT402 3.6 16.1 1.0 C01 A:7MT402 3.6 17.6 1.0 OH A:TYR352 4.2 15.3 1.0 O A:HOH613 4.5 13.2 1.0 C19 A:7MT402 4.6 14.3 1.0 C21 A:7MT402 4.7 13.8 1.0 O25 A:7MT402 4.7 14.2 1.0 C13 A:7MT402 4.7 11.6 1.0 C15 A:7MT402 4.8 18.9 1.0 O28 A:7MT402 4.8 19.4 1.0

Terbium binding site 2 out of 3 in the Crystal Structure of N-Ethylmaleimide Reductase with Mutation Y187F (Nema Y187F) From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Terbium with other atoms in the Tb binding site number 2 of Crystal Structure of N-Ethylmaleimide Reductase with Mutation Y187F (Nema Y187F) From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Tb402 b:10.8 occ:1.00 TB B:7MT402 0.0 10.8 1.0 N23 B:7MT402 2.4 16.1 1.0 N17 B:7MT402 2.5 15.3 1.0 N06 B:7MT402 2.6 12.1 1.0 N09 B:7MT402 2.7 13.3 1.0 N02 B:7MT402 2.7 18.5 1.0 O26 B:7MT402 2.8 12.9 1.0 O27 B:7MT402 2.9 11.9 1.0 C11 B:7MT402 3.3 13.2 1.0 C07 B:7MT402 3.3 12.4 1.0 C03 B:7MT402 3.3 15.6 1.0 C22 B:7MT402 3.4 15.5 1.0 C04 B:7MT402 3.4 17.6 1.0 C29 B:7MT402 3.4 9.9 1.0 C10 B:7MT402 3.4 15.3 1.0 C30 B:7MT402 3.4 13.7 1.0 C16 B:7MT402 3.5 18.2 1.0 C24 B:7MT402 3.5 13.0 1.0 C05 B:7MT402 3.5 17.3 1.0 C08 B:7MT402 3.5 12.3 1.0 C18 B:7MT402 3.6 15.3 1.0 C01 B:7MT402 3.6 15.3 1.0 OH B:TYR352 4.1 15.4 1.0 O B:HOH585 4.4 14.0 1.0 C19 B:7MT402 4.6 12.9 1.0 C21 B:7MT402 4.7 16.7 1.0 O25 B:7MT402 4.7 14.2 1.0 C13 B:7MT402 4.7 16.3 1.0 O B:HOH693 4.8 21.7 1.0 O28 B:7MT402 4.8 17.5 1.0 C15 B:7MT402 4.8 17.1 1.0

Terbium binding site 3 out of 3 in the Crystal Structure of N-Ethylmaleimide Reductase with Mutation Y187F (Nema Y187F) From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Terbium with other atoms in the Tb binding site number 3 of Crystal Structure of N-Ethylmaleimide Reductase with Mutation Y187F (Nema Y187F) From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ C:Tb402 b:31.6 occ:0.71 TB C:7MT402 0.0 31.6 0.7 N23 C:7MT402 2.4 37.8 0.7 N17 C:7MT402 2.5 43.4 0.7 N06 C:7MT402 2.6 34.8 0.7 N09 C:7MT402 2.6 42.9 0.7 N02 C:7MT402 2.7 38.6 0.7 O26 C:7MT402 2.8 41.0 0.7 O27 C:7MT402 2.9 41.2 0.7 C11 C:7MT402 3.2 37.7 0.7 C29 C:7MT402 3.3 39.8 0.7 C22 C:7MT402 3.3 44.6 0.7 C07 C:7MT402 3.3 39.2 0.7 C10 C:7MT402 3.4 43.4 0.7 C03 C:7MT402 3.4 42.3 0.7 C04 C:7MT402 3.4 40.9 0.7 C30 C:7MT402 3.5 40.2 0.7 C16 C:7MT402 3.5 42.2 0.7 C24 C:7MT402 3.5 39.5 0.7 C08 C:7MT402 3.6 41.3 0.7 C18 C:7MT402 3.6 42.0 0.7 C05 C:7MT402 3.6 40.9 0.7 C01 C:7MT402 3.6 35.5 0.7 OH C:TYR352 4.1 56.5 1.0 C19 C:7MT402 4.6 47.8 0.7 C21 C:7MT402 4.7 44.5 0.7 O25 C:7MT402 4.7 33.5 0.7 C13 C:7MT402 4.7 45.1 0.7 O28 C:7MT402 4.8 51.5 0.7 C15 C:7MT402 4.8 38.7 0.7

M.Tinzl, G.M.M.Stoffel, D.A.Saez, P.D.Gerlinger, R.Recabarren, T.Bradley, H.Westedt, P.Pfister, A.Gomez, M.O.Ebert, E.Voehringer-Martinez, T.J.Erb. Development of the Biocatalytic Reductive Aldol Reaction To Be Published.