Zinc in PDB 3cew: Crystal Structure of A Cupin Protein (BF4112) From Bacteroides Fragilis. Northeast Structural Genomics Consortium Target BFR205

The structure of Crystal Structure of A Cupin Protein (BF4112) From Bacteroides Fragilis. Northeast Structural Genomics Consortium Target BFR205, PDB code: 3cew was solved by F.Forouhar, Y.Chen, J.Seetharaman, L.Mao, R.Xiao, C.Ciccosanti, E.L.Foote, M.Maglaqui, H.Wang, M.C.Baran, T.B.Acton, G.T.Montelione, J.F.Hunt, L.Tong, Northeast Structural Genomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.81 / 2.31
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.140, 87.834, 128.032, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 24.6

The binding sites of Zinc atom in the Crystal Structure of A Cupin Protein (BF4112) From Bacteroides Fragilis. Northeast Structural Genomics Consortium Target BFR205 (pdb code 3cew). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of A Cupin Protein (BF4112) From Bacteroides Fragilis. Northeast Structural Genomics Consortium Target BFR205, PDB code: 3cew:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of A Cupin Protein (BF4112) From Bacteroides Fragilis. Northeast Structural Genomics Consortium Target BFR205


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of A Cupin Protein (BF4112) From Bacteroides Fragilis. Northeast Structural Genomics Consortium Target BFR205 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:20.5 occ:1.00 NE2 A:HIS45 2.2 12.9 1.0 OE2 A:GLU50 2.3 17.0 1.0 NE2 A:HIS43 2.3 10.9 1.0 O A:HOH202 2.4 2.5 1.0 O A:HOH272 2.5 21.0 1.0 OE1 A:GLU50 2.6 17.1 1.0 CD A:GLU50 2.8 16.2 1.0 CE1 A:HIS45 3.1 13.2 1.0 CD2 A:HIS43 3.2 10.8 1.0 CD2 A:HIS45 3.3 11.0 1.0 CE1 A:HIS43 3.3 10.7 1.0 O A:HOH284 3.5 40.9 1.0 O A:HOH283 3.8 35.5 1.0 ND1 A:HIS45 4.2 14.6 1.0 OH A:TYR52 4.3 25.1 1.0 CG A:GLU50 4.3 15.8 1.0 CG A:HIS43 4.3 10.5 1.0 CG A:HIS45 4.4 13.1 1.0 ND1 A:HIS43 4.4 10.0 1.0 NH2 A:ARG84 4.6 9.8 1.0 CD A:ARG84 4.7 11.5 1.0 NE2 A:GLN100 4.8 12.2 1.0 CD A:GLN100 4.9 11.7 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of A Cupin Protein (BF4112) From Bacteroides Fragilis. Northeast Structural Genomics Consortium Target BFR205


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of A Cupin Protein (BF4112) From Bacteroides Fragilis. Northeast Structural Genomics Consortium Target BFR205 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:24.5 occ:1.00 OE2 B:GLU50 2.2 19.1 1.0 NE2 B:HIS45 2.3 8.3 1.0 NE2 B:HIS43 2.3 11.4 1.0 O B:HOH252 2.5 17.0 1.0 O B:HOH202 2.5 2.9 1.0 OE1 B:GLU50 2.6 17.9 1.0 CD B:GLU50 2.7 17.3 1.0 CE1 B:HIS45 3.1 9.9 1.0 CD2 B:HIS43 3.2 9.7 1.0 CE1 B:HIS43 3.4 9.8 1.0 CD2 B:HIS45 3.4 9.5 1.0 O B:HOH237 3.8 25.6 1.0 O B:HOH269 4.1 33.2 1.0 OH B:TYR52 4.2 24.6 1.0 CG B:GLU50 4.3 16.4 1.0 ND1 B:HIS45 4.3 9.9 1.0 CG B:HIS43 4.4 10.8 1.0 ND1 B:HIS43 4.4 11.2 1.0 CG B:HIS45 4.5 12.0 1.0 NH2 B:ARG84 4.6 8.1 1.0 CD B:ARG84 4.7 11.2 1.0 NE2 B:GLN100 4.8 14.6 1.0 CD B:GLN100 5.0 15.4 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of A Cupin Protein (BF4112) From Bacteroides Fragilis. Northeast Structural Genomics Consortium Target BFR205


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of A Cupin Protein (BF4112) From Bacteroides Fragilis. Northeast Structural Genomics Consortium Target BFR205 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn201 b:27.2 occ:1.00 OE2 C:GLU50 2.2 19.8 1.0 NE2 C:HIS45 2.2 16.0 1.0 O C:HOH202 2.4 5.4 1.0 NE2 C:HIS43 2.4 12.0 1.0 O C:HOH281 2.5 19.9 1.0 OE1 C:GLU50 2.7 22.0 1.0 CD C:GLU50 2.8 19.7 1.0 CE1 C:HIS45 3.0 14.8 1.0 CD2 C:HIS43 3.3 11.1 1.0 CD2 C:HIS45 3.3 14.5 1.0 CE1 C:HIS43 3.5 9.9 1.0 O C:HOH261 3.6 22.6 1.0 ND1 C:HIS45 4.2 15.5 1.0 CG C:GLU50 4.3 19.5 1.0 OH C:TYR52 4.3 23.9 1.0 O C:HOH265 4.3 46.9 1.0 CG C:HIS45 4.4 14.2 1.0 CG C:HIS43 4.5 10.2 1.0 ND1 C:HIS43 4.5 12.4 1.0 NE2 C:GLN100 4.7 12.1 1.0 NH2 C:ARG84 4.7 12.3 1.0 CD C:GLN100 4.8 11.8 1.0 CD C:ARG84 4.9 14.1 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of A Cupin Protein (BF4112) From Bacteroides Fragilis. Northeast Structural Genomics Consortium Target BFR205


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of A Cupin Protein (BF4112) From Bacteroides Fragilis. Northeast Structural Genomics Consortium Target BFR205 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn201 b:26.3 occ:1.00 OE2 D:GLU50 2.2 20.0 1.0 NE2 D:HIS45 2.3 14.1 1.0 NE2 D:HIS43 2.4 9.7 1.0 O D:HOH264 2.5 6.2 1.0 OE1 D:GLU50 2.6 22.1 1.0 O D:HOH333 2.6 22.0 1.0 CD D:GLU50 2.7 19.9 1.0 CE1 D:HIS45 3.1 13.2 1.0 CD2 D:HIS43 3.2 10.4 1.0 CD2 D:HIS45 3.4 14.1 1.0 CE1 D:HIS43 3.4 8.3 1.0 O D:HOH334 3.7 30.7 1.0 OH D:TYR52 4.2 26.8 1.0 CG D:GLU50 4.3 19.3 1.0 ND1 D:HIS45 4.3 12.8 1.0 CG D:HIS43 4.4 10.5 1.0 ND1 D:HIS43 4.5 9.8 1.0 CG D:HIS45 4.5 13.8 1.0 O D:HOH311 4.5 30.4 1.0 NH2 D:ARG84 4.6 12.2 1.0 NE2 D:GLN100 4.8 13.1 1.0 CD D:ARG84 4.8 11.6 1.0 CD D:GLN100 4.9 14.8 1.0

F.Forouhar, Y.Chen, J.Seetharaman, L.Mao, R.Xiao, C.Ciccosanti, E.L.Foote, M.Maglaqui, H.Wang, M.C.Baran, T.B.Acton, G.T.Montelione, J.F.Hunt, L.Tong. Crystal Structure of A Cupin Protein (BF4112) From Bacteroides Fragilis. Northeast Structural Genomics Consortium Target BFR205. To Be Published.