Zinc in PDB 3l1u: Crystal Structure of Calcium-Bound Gmhb From E. Coli.

The structure of Crystal Structure of Calcium-Bound Gmhb From E. Coli., PDB code: 3l1u was solved by S.N.Sugiman-Marangos, M.S.Junop, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.57 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.553, 64.031, 105.236, 90.00, 90.00, 90.00
R / Rfree (%)	23.5 / 25.8

The structure of Crystal Structure of Calcium-Bound Gmhb From E. Coli. also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of Calcium-Bound Gmhb From E. Coli. (pdb code 3l1u). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Calcium-Bound Gmhb From E. Coli., PDB code: 3l1u:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Calcium-Bound Gmhb From E. Coli.


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 Calcium-Bound Gmhb From E. Coli. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn212 b:26.6 occ:1.00 ND1 A:HIS114 2.1 28.9 1.0 SG A:CYS129 2.3 25.2 1.0 SG A:CYS112 2.4 21.1 1.0 SG A:CYS127 2.4 23.4 1.0 CE1 A:HIS114 3.1 28.7 1.0 CG A:HIS114 3.1 24.9 1.0 CB A:CYS112 3.1 22.8 1.0 CB A:CYS127 3.4 24.5 1.0 CB A:HIS114 3.4 22.8 1.0 CB A:CYS129 3.5 26.3 1.0 N A:ARG130 3.5 21.3 1.0 C A:CYS129 3.8 22.5 1.0 CA A:CYS112 3.9 21.5 1.0 CA A:CYS129 3.9 25.9 1.0 N A:CYS129 3.9 25.9 1.0 N A:HIS114 4.2 17.6 1.0 NE2 A:HIS114 4.2 28.3 1.0 CD2 A:HIS114 4.3 24.3 1.0 CA A:ARG130 4.3 20.3 1.0 CB A:ARG130 4.3 26.2 1.0 C A:CYS112 4.4 21.7 1.0 CA A:HIS114 4.4 19.8 1.0 O A:CYS129 4.5 23.6 1.0 CD A:PRO113 4.5 21.9 1.0 N A:PRO113 4.6 19.1 1.0 CA A:CYS127 4.8 29.9 1.0 O A:HOH225 4.8 18.2 1.0 O A:HOH314 4.8 41.3 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Calcium-Bound Gmhb From E. Coli.


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 Calcium-Bound Gmhb From E. Coli. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn212 b:28.4 occ:1.00 SG B:CYS127 2.4 32.6 1.0 SG B:CYS129 2.4 29.8 1.0 SG B:CYS112 2.5 22.6 1.0 CD2 B:HIS114 3.0 23.7 1.0 CB B:CYS127 3.2 33.4 1.0 CB B:HIS114 3.3 20.9 1.0 CB B:CYS112 3.3 23.0 1.0 CG B:HIS114 3.5 24.7 1.0 CB B:CYS129 3.8 38.5 1.0 N B:ARG130 3.8 27.5 1.0 CA B:CYS112 4.0 25.9 1.0 N B:HIS114 4.0 22.7 1.0 N B:CYS129 4.1 36.8 1.0 NE2 B:HIS114 4.1 30.8 1.0 C B:CYS129 4.1 30.5 1.0 CA B:CYS129 4.2 37.0 1.0 CA B:HIS114 4.2 20.8 1.0 CD B:PRO113 4.3 24.4 1.0 C B:CYS112 4.4 22.9 1.0 CB B:ARG130 4.4 30.7 1.0 N B:PRO113 4.5 24.0 1.0 CA B:ARG130 4.5 29.2 1.0 CA B:CYS127 4.7 36.7 1.0 ND1 B:HIS114 4.8 29.1 1.0 O B:HOH374 4.8 29.6 1.0 O B:HOH257 4.8 44.5 1.0 O B:HOH298 4.8 20.4 1.0 O B:CYS129 4.9 32.7 1.0 C B:HIS114 5.0 22.7 1.0

P.L.Taylor, S.Sugiman-Marangos, K.Zhang, M.A.Valvano, G.D.Wright, M.S.Junop. Structural and Kinetic Characterization of the Lps Biosynthetic Enzyme D-Alpha,Beta-D-Heptose-1,7-Bisphosphate Phosphatase (Gmhb) From Escherichia Coli. Biochemistry V. 49 1033 2010.
ISSN: ISSN 0006-2960
PubMed: 20050699
DOI: 10.1021/BI901780J