Zinc in PDB 3w6i: Crystal Structure of 19F Probe-Labeled Hcai

All present enzymatic activity of Crystal Structure of 19F Probe-Labeled Hcai:
4.2.1.1;

The structure of Crystal Structure of 19F Probe-Labeled Hcai, PDB code: 3w6i was solved by Y.Takaoka, Y.Kioi, A.Morito, J.Otani, K.Arita, E.Ashihara, M.Ariyoshi, H.Tochio, M.Shirakawa, I.Hamachi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.35 / 2.69
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.463, 69.614, 119.943, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 27

The structure of Crystal Structure of 19F Probe-Labeled Hcai also contains other interesting chemical elements:

Fluorine

(F)

12 atoms

The binding sites of Zinc atom in the Crystal Structure of 19F Probe-Labeled Hcai (pdb code 3w6i). 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 19F Probe-Labeled Hcai, PDB code: 3w6i:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of 19F Probe-Labeled Hcai


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 19F Probe-Labeled Hcai within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:18.9 occ:1.00 NE2 A:HIS96 2.3 16.1 1.0 NE2 A:HIS94 2.3 11.1 1.0 ND1 A:HIS119 2.4 17.2 1.0 O A:HOH463 2.4 1.7 1.0 CD2 A:HIS96 3.1 16.4 1.0 CE1 A:HIS119 3.2 18.7 1.0 CE1 A:HIS94 3.3 11.1 1.0 CE1 A:HIS96 3.3 16.3 1.0 CD2 A:HIS94 3.3 12.6 1.0 OG1 A:THR199 3.4 23.3 1.0 CG A:HIS119 3.4 17.2 1.0 CB A:HIS119 3.8 15.1 1.0 CG A:HIS96 4.3 14.5 1.0 NE2 A:HIS119 4.3 20.0 1.0 OE1 A:GLU106 4.3 18.7 1.0 ND1 A:HIS96 4.3 16.0 1.0 ND1 A:HIS94 4.4 12.5 1.0 CD2 A:HIS119 4.5 19.3 1.0 CG A:HIS94 4.5 13.1 1.0 CD2 A:HIS200 4.5 27.5 1.0 CB A:THR199 4.6 21.1 1.0 CG2 A:THR199 4.7 20.9 1.0 NE2 A:HIS200 4.9 28.2 1.0 CH2 A:TRP209 4.9 14.1 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of 19F Probe-Labeled Hcai


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 19F Probe-Labeled Hcai within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn302 b:19.5 occ:1.00 NE2 E:HIS96 2.3 15.8 1.0 NE2 E:HIS94 2.3 11.7 1.0 ND1 E:HIS119 2.3 17.3 1.0 O E:HOH460 2.5 1.7 1.0 CD2 E:HIS96 3.1 15.8 1.0 CE1 E:HIS119 3.1 18.9 1.0 CE1 E:HIS94 3.2 11.8 1.0 CD2 E:HIS94 3.2 12.5 1.0 CE1 E:HIS96 3.3 16.4 1.0 CG E:HIS119 3.4 17.3 1.0 OG1 E:THR199 3.5 23.0 1.0 CB E:HIS119 3.8 15.4 1.0 CG E:HIS96 4.3 14.6 1.0 NE2 E:HIS119 4.3 20.2 1.0 OE1 E:GLU106 4.4 18.3 1.0 ND1 E:HIS96 4.4 16.1 1.0 ND1 E:HIS94 4.4 12.1 1.0 CG E:HIS94 4.4 12.8 1.0 CD2 E:HIS119 4.4 19.2 1.0 CD2 E:HIS200 4.6 27.5 1.0 CB E:THR199 4.7 21.3 1.0 CG2 E:THR199 4.8 20.9 1.0 O E:HOH414 4.8 14.2 1.0 F4 E:FLB301 4.9 49.0 1.0 NE2 E:HIS200 4.9 28.6 1.0 CH2 E:TRP209 4.9 14.0 1.0

Y.Takaoka, Y.Kioi, A.Morito, J.Otani, K.Arita, E.Ashihara, M.Ariyoshi, H.Tochio, M.Shirakawa, I.Hamachi. Quantitative Comparison of Protein Dynamics in Live Cells and in Vitro By in-Cell 19F-uc(Nmr) To Be Published.